4pzH (1-methyl-4-(phenyldiazenyl)-1H-pyrazole)
DOI: 10.14469/hpc/5442 Metadata
Created: 2019-04-10 10:37
Last modified: 2019-05-02 16:26
License: Creative Commons: Public Domain Dedication 1.0
Funding: "EP/R00188X/1" does not match any project, edit to fix. If the project is new it may not be in the system yet.
Description
Acid studies on 4pzH
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 4pzH acid vs neutral.mnova | 448KB | chemical/x-mnova | H NMR comparing neutral and acidic species in d3-MeCN. |
| 4pzH acid vs neutral.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 4pzH acid vs neutral.mnova |
| 4pzH for DOI.cdx | 2KB | chemical/x-cdx | Chemical structure |
| 4pzH acid example.mnova | 134KB | chemical/x-mnova | Example NMR from cycling experiment (acid) |
| 4pzH acid example.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 4pzH acid example.mnova |
| 4pzH irradiate example.mnova | 138KB | chemical/x-mnova | Example NMR from cycling experiment (irradiated) |
| 4pzH irradiate example.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 4pzH irradiate example.mnova |
| UV-vis data.xlsx | 65KB | application/vnd.openxmlformats-officedocument.spreadsheetml.sheet | UV-vis data of isomers with increasing equivalents of acid |
| Figure S1.2.xlsx | 17KB | application/vnd.openxmlformats-officedocument.spreadsheetml.sheet | Kinetics experiment with chloroacetic acid |
| 4pzH cycle.xlsx | 16KB | application/vnd.openxmlformats-officedocument.spreadsheetml.sheet | Acid-light cycle graph |
| 4pzH Z isomer MeCN.mnova | 122KB | chemical/x-mnova | H NMR Z isomer (after UVA irradiation) in d3-MeCN |
| 4pzH Z isomer MeCN.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 4pzH Z isomer MeCN.mnova |
| 4pzH E isomer MeCN.mnova | 121KB | chemical/x-mnova | H NMR E isomer (initial solid) in d3-MeCN |
| 4pzH E isomer MeCN.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 4pzH E isomer MeCN.mnova |
| 4pzH increasing HCl equivalents NMR.mnova | 935KB | chemical/x-mnova | H NMR increasing equivalents of HCl in d3-MeCN |
| 4pzH increasing HCl equivalents NMR.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 4pzH increasing HCl equivalents NMR.mnova |
| 4pzH-cis.log | 862KB | chemical/x-gaussian-log | pKa calculation Z 4pzH |
| 4pzH-Hazo1-cis.log | 896KB | chemical/x-gaussian-log | pKa calculation Z H+ azo-1 |
| 4pzH-Hazo1-trans.log | 897KB | chemical/x-gaussian-log | pKa calculation E H+ azo-1 |
| 4pzH-Hazo2-cis.log | 823KB | chemical/x-gaussian-log | pKa calculation Z H+ azo-2 |
| 4pzH-Hazo2-trans.log | 902KB | chemical/x-gaussian-log | pKa calculation E H+ azo-2 |
| 4pzH-Hpyra-cis.log | 925KB | chemical/x-gaussian-log | pKa calculation Z H+ pyra |
| 4pzH-Hpyra-trans.log | 700KB | chemical/x-gaussian-log | pKa calculation E H+ pyra |
| 4pzH-trans.log | 814KB | chemical/x-gaussian-log | pKa calculation E 4pzH |
| 4pzH-cis.log | 125KB | chemical/x-gaussian-log | TDDFT 4pzH Z |
| 4pzH-Hazo1-cis.log | 128KB | chemical/x-gaussian-log | TDDFT 4pzH Z H+ azo-1 |
| 4pzH-Hazo1-trans.log | 127KB | chemical/x-gaussian-log | TDDFT 4pzH E H+ azo-1 |
| 4pzH-Hazo2-cis.log | 127KB | chemical/x-gaussian-log | TDDFT 4pzH Z H+ azo-2 |
| 4pzH-Hazo2-trans.log | 127KB | chemical/x-gaussian-log | TDDFT 4pzH E H+ azo-2 |
| 4pzH-Hazopyra-cis.log | 129KB | chemical/x-gaussian-log | TDDFT 4pzH Z H2+ azo&pyra |
| 4pzH-Hazopyra-trans.log | 130KB | chemical/x-gaussian-log | TDDFT 4pzH E H2+ azo&pyra |
| 4pzH-Hpyra-cis.log | 128KB | chemical/x-gaussian-log | TDDFT 4pzH Z H+ pyra |
| 4pzH-Hpyra-trans.log | 127KB | chemical/x-gaussian-log | TDDFT 4pzH E H+ pyra |
| 4pzH-trans.log | 124KB | chemical/x-gaussian-log | TDDFT 4pzH E |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/5454 | Chemical Z‐E isomer switching of arylazopyrazoles using acid |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C10H11N4/c1-14-8-10(7-11-14)13-12-9-5-3-2-4-6-9/h2-8,12H,1H3 |
| inchi | InChI=1S/C10H11N4/c1-14-8-10(7-11-14)13-12-9-5-3-2-4-6-9/h2-8,11H,1H3/b13-12- |
| inchi | InChI=1S/C10H11N4/c1-14-8-10(7-11-14)13-12-9-5-3-2-4-6-9/h2-8,12H,1H3 |
| inchi | InChI=1S/C10H11N4/c1-14-8-10(7-11-14)13-12-9-5-3-2-4-6-9/h2-8,13H,1H3 |
| inchi | InChI=1S/C10H11N4/c1-14-8-10(7-11-14)13-12-9-5-3-2-4-6-9/h2-8,11H,1H3/b13-12+ |
| inchi | InChI=1S/C10H11N4/c1-14-8-10(7-11-14)13-12-9-5-3-2-4-6-9/h2-8,13H,1H3 |
| inchi | InChI=1S/C10H12N4/c1-14-8-10(7-11-14)13-12-9-5-3-2-4-6-9/h2-8,11-12H,1H3 |
| inchi | InChI=1S/C10H10N4/c1-14-8-10(7-11-14)13-12-9-5-3-2-4-6-9/h2-8H,1H3/b13-12+ |
| inchi | InChI=1S/C10H12N4/c1-14-8-10(7-11-14)13-12-9-5-3-2-4-6-9/h2-8,11-12H,1H3 |
| inchi | InChI=1S/C10H10N4/c1-14-8-10(7-11-14)13-12-9-5-3-2-4-6-9/h2-8H,1H3/b13-12+ |
| inchi | InChI=1S/C10H11N4/c1-14-8-10(7-11-14)13-12-9-5-3-2-4-6-9/h2-8,11H,1H3/b13-12- |
| inchi | InChI=1S/C10H11N4/c1-14-8-10(7-11-14)13-12-9-5-3-2-4-6-9/h2-8,13H,1H3 |
| inchi | InChI=1S/C10H11N4/c1-14-8-10(7-11-14)13-12-9-5-3-2-4-6-9/h2-8,11H,1H3/b13-12+ |
| inchi | InChI=1S/C10H10N4/c1-14-8-10(7-11-14)13-12-9-5-3-2-4-6-9/h2-8H,1H3/b13-12- |
| inchi | InChI=1S/C10H10N4/c1-14-8-10(7-11-14)13-12-9-5-3-2-4-6-9/h2-8H,1H3/b13-12+ |
| inchi | InChI=1S/C10H10N4/c1-14-8-10(7-11-14)13-12-9-5-3-2-4-6-9/h2-8H,1H3/b13-12- |
| inchikey | GZZDENQMAKNSOC-OUKQBFOZSA-N |
| inchikey | GZZDENQMAKNSOC-SEYXRHQNSA-N |
| inchikey | LRORAMYXKCZAMX-UHFFFAOYSA-N |
| inchikey | BUEJHSLKZDVEEB-UHFFFAOYSA-N |
| inchikey | XZZODOJAYZPDPU-SEYXRHQNSA-N |
| inchikey | XZZODOJAYZPDPU-OUKQBFOZSA-N |
| inchikey | GZZDENQMAKNSOC-SEYXRHQNSA-N |
| inchikey | LRORAMYXKCZAMX-UHFFFAOYSA-N |
| inchikey | BUEJHSLKZDVEEB-UHFFFAOYSA-N |
| inchikey | TXFMRPDVROTXDI-UHFFFAOYSA-N |
| inchikey | XZZODOJAYZPDPU-SEYXRHQNSA-N |
| inchikey | XZZODOJAYZPDPU-OUKQBFOZSA-N |