Basic information
- CAS
4492-01-7- Standard SMILES
c1ccc(-c2ccn(-c3ccccc3)n2)cc1- InChIKey
LQUBXCVRJZGBLM-UHFFFAOYSA-N- Molecular formula
- C15H12N2
- Average molar mass
- 220.27 g/mol
- Monoisotopic mass
- 220.10004839
Names & identifiers
- Preferred name
- 1,3-Diphenyl-1H-pyrazole
- IUPAC
- 1,3-diphenylpyrazole
- English name
- 1,3-DIPHENYL-1H-PYRAZOLE
- Molecular formula
- C15H12N2
- Molecular weight
- 220.27
Names & synonyms
1,3-Diphenyl-1H-pyrazole4492-01-7DTXSID20346573RefChem:1052927DTXCID502976451,3-DiphenylpyrazoleMFCD004507931,3-diphenyl pyrazoleEnamine_001698Pyrazole, 1,3-diphenyl-Cambridge id 5150010CBDivE_001839
Show more names
SCHEMBL2181181,3-Diphenyl-1H-pyrazole #1H-Pyrazole, 1,3-diphenyl-SCHEMBL1323074HMS1398N04AKOS001035946CCG-326238DB-421173
Database identifiers
- CAS
4492-01-7- PubChem CID
- 613284
- DTXSID
DTXSID20346573- Nikkaji
- J45.421D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 85.8 °C · 85.8°C
- Boiling point
- 351.21 °C · 351.21°C (rough estimate)
- Density
- 1.0794 · 1.0794
- refractive index
- 1.5 · 1.5000 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
1 records
Compound notes
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