In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 9th, 2006 | 17 | No |
Popular Name: ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate ethyl 5-oxo-1-phenyl-4,5-dihydro…
3-(Ethoxycarbonyl)-1-phenyl-5-pyrazolone
Ethyl 1-phenyl-5-pyrazolinone-3-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) | 1.55 | 5.92 | -8.86 | 1 | 5 | 0 | 64 | 232.239 | 4 | ↓ |
Ref Reference (pH 7) | 1.64 | 6.05 | -7.55 | 0 | 5 | 0 | 59 | 232.239 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
PUBCHEM_PATENT_ID | EP0370198A1; EP0417555A1; EP0417555B1; US5118814; US5138070 | IBM Patent Data |
PUBCHEM_PATENT_ID | US4008213; US4010151 | IBM Patent Data |
PUBCHEM_PATENT_ID | US4837335 | IBM Patent Data |