Benzoylpyrazole
Basic information
- CAS
19854-92-3- Standard SMILES
O=C(c1ccccc1)c1ccn[nH]1- InChIKey
UYMQWGLCXYHTES-UHFFFAOYSA-N- Molecular formula
- C10H8N2O
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.06366288
Names & identifiers
- Preferred name
- Benzoylpyrazole
- IUPAC
- phenyl(1H-pyrazol-5-yl)methanone
- English name
- phenyl-(2H-pyrazol-3-yl)methanone
- Molecular formula
- C10H8N2O
- Molecular weight
- 172.18
Names & synonyms
benzoylpyrazole19854-92-3DTXSID50286771RefChem:1079392CHEBI:38318DTXCID40237919Methanone, phenyl-1H-pyrazol-3-yl-3-benzoyl-1H-pyrazolephenyl(1h-pyrazol-5-yl)methanonePhenyl-1H-pyrazol-3-ylmethanoneNSC47483PHENYL(PYRAZOL-5-YL)METHANONE
Show more names
phenyl-(2H-pyrazol-3-yl)methanone
SCHEMBL135361SCHEMBL9894143Methanone,phenyl-1H-pyrazol-3-yl-MFCD17288900NSC-47483NSC166869phenyl-(1H-pyrazol-3-yl)-methanoneAKOS037645592
Database identifiers
- CAS
19854-92-3- PubChem CID
- 240797
- DTXSID
DTXSID50286771- Nikkaji
- J638.209F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- 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
Suppliers
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Related reactions
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Compound notes
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