| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 13 | No |
Popular Name: 3-(1,3,5-Trimethyl-1H-pyrazol-4-yl)acrylic acid 3-(1,3,5-Trimethyl-1H-pyrazol-4-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 21937-88-2 , [21937-88-2]
(2E)-3-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-acrylic acid
(2e)-3-(1,3,5-trimethyl-1h-pyrazol-4-yl)-acrylicacid
(2E)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)acrylic acid
(2E)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)prop-2-enoic acid
3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-propenoic acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.55 | 5.2 | -51.24 | 0 | 4 | -1 | 58 | 179.199 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.55 | 5.33 | -54.52 | 1 | 4 | 0 | 59 | 180.207 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 197 - 199 | Enamine Building Blocks |
| MP | 197...199 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
