(1,3-Diphenyl-1h-pyrazol-4-yl)-methanol
Basic information
- CAS
40278-32-8- Standard SMILES
OCc1cn(-c2ccccc2)nc1-c1ccccc1- InChIKey
RTJRIXAAKFEPLD-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Names & identifiers
- Preferred name
- (1,3-Diphenyl-1h-pyrazol-4-yl)-methanol
- IUPAC
- (1,3-diphenylpyrazol-4-yl)methanol
- English name
- (1,3-Diphenyl-1H-pyrazol-4-yl)-methanol
- Molecular formula
- C16H14N2O
- Molecular weight
- 250.3
Names & synonyms
40278-32-8(1,3-diphenyl-1h-pyrazol-4-yl)-methanolDTXSID30353410RefChem:204334DTXCID40304473(1,3-Diphenyl-1H-pyrazol-4-yl)methanol(1,3-diphenylpyrazol-4-yl)methanolMFCD01909793Enamine_0011451H-Pyrazole-4-methanol,1,3-diphenyl-CHEMBL4211723SCHEMBL11249366
Show more names
1H-Pyrazole-4-methanol, 1,3-diphenyl-JR-2351, (1,3-Diphenyl-1H-pyrazol-4-yl)methanol, 97%
HMS1397E01SMSF00096001,3-Diphenyl-4-(hydroxymethyl)pyrazoleQBA27832(1,3-diphenyl-4-pyrazolyl)methanolSBB100768AKOS000115746CB00933
Database identifiers
- CAS
40278-32-8- PubChem CID
- 740175
- DTXSID
DTXSID30353410- ChEMBL
CHEMBL4211723- Nikkaji
- J2.621.791A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 460.1 · 460.1±33.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 13.88 · 13.88±0.10(Predicted)
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…