Basic information
- CAS
77458-34-5- Standard SMILES
Cc1ccc(-n2cc(O)cn2)cc1- InChIKey
YCNITVORPRPROS-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931295
Names & identifiers
- Preferred name
- 1-(4-Methylphenyl)-1H-pyrazol-4-ol
- IUPAC
- 1-(4-methylphenyl)pyrazol-4-ol
- English name
- 1H-Pyrazol-4-ol, 1-(4-methylphenyl)-
- Molecular formula
- C10H10N2O
- Molecular weight
- 174.2
Names & synonyms
77458-34-51-(4-Methylphenyl)-1H-pyrazol-4-olDTXSID90512561RefChem:225459DTXCID504633681-p-tolyl-1H-pyrazol-4-ol1-(p-Tolyl)-1H-pyrazol-4-ol1-(4-METHYLPHENYL)PYRAZOL-4-OL1H-Pyrazol-4-ol, 1-(4-methylphenyl)-1-(p-tolyl)pyrazol-4-olSCHEMBL619063p-methylphenyl-1h-pyrazole-4-ol
Show more names
JR-14123, 1-p-Tolyl-1H-pyrazol-4-ol, 97%
YCNITVORPRPROS-UHFFFAOYSA-NMFCD23110699
Database identifiers
- CAS
77458-34-5- PubChem CID
- 12901079
- DTXSID
DTXSID90512561
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 318.1 · 318.1±25.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 8.92 · 8.92±0.14(Predicted)
Chemistry & industry
Suppliers2 total
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
3 records
Compound notes
Loading…