| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 10 | Yes |
Popular Name: methyl 4-chloro-1H-pyrazole-3-carboxylate methyl 4-chloro-1H-pyrazole-3-ca…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1005584-90-6 , [1005584-90-6]
1H-pyrazole-3-carboxylic acid, 4-chloro-, methyl ester
4-Chloro-1 H -pyrazole-3-carboxylic acid methyl es
4-Chloro-1 H -pyrazole-3-carboxylic acid methyl ester
4-Chloro-1H-pyrazole-3-carboxylic acid methyl ester
4-Chloro-2H-pyrazole-3-carboxylic acid methyl ester
methyl 4-chloro-1H-pyrazole-5-carboxylate
| 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) | 1.00 | 2.1 | -5.62 | 1 | 4 | 0 | 55 | 160.56 | 2 | ↓ |
| Ref Reference (pH 7) | 1.00 | 2.11 | -9.48 | 1 | 4 | 0 | 55 | 160.56 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.