In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 16 | No |
Popular Name: 3-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-propionic acid methyl ester 3-(3,5-Dimethyl-4-nitro-pyrazol-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 512809-76-6
1H-pyrazole-1-propanoic acid, 3,5-dimethyl-4-nitro-, methyl ester
3-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-propionic ac
methyl 3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoate
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) | 0.54 | 5.73 | -9.1 | 0 | 7 | 0 | 90 | 227.22 | 5 | ↓ |