| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 11 | Yes |
Popular Name: 4-Chloro-1,5-dimethyl-1H-pyrazole-3-carboxylic acid 4-Chloro-1,5-dimethyl-1H-pyrazol…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 514800-80-7 , [514800-80-7]
1H-pyrazole-3-carboxylic acid, 4-chloro-1,5-dimethyl-
4-Chloro-1,5-dimethyl-1 H -pyrazole-3-carboxylic a
4-Chloro-1,5-dimethyl-1 H -pyrazole-3-carboxylic acid
4-chloro-1,5-dimethyl-1h-pyrazole-3-carboxylicacid
| 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) | 1.03 | 2.87 | -57.29 | 0 | 4 | -1 | 58 | 173.579 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.