[3-benzoyl-1-(4-fluorophenyl)pyrazol-4-yl]-phenylmethanone

C23H15FN2O2 — CID 175118689

IUPAC[3-benzoyl-1-(4-fluorophenyl)pyrazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn(-c2ccc(F)cc2)nc1C(=O)c1ccccc1
InChIInChI=1S/C23H15FN2O2/c24-18-11-13-19(14-12-18)26-15-20(22(27)16-7-3-1-4-8-16)21(25-26)23(28)17-9-5-2-6-10-17/h1-15H
InChIKeyQVJPNPYUKAIUFQ-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.47
Rot. Bonds5

About [3-benzoyl-1-(4-fluorophenyl)pyrazol-4-yl]-phenylmethanone

[3-benzoyl-1-(4-fluorophenyl)pyrazol-4-yl]-phenylmethanone (PubChem CID 175118689) has the molecular formula C23H15FN2O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is [3-benzoyl-1-(4-fluorophenyl)pyrazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-benzoyl-1-(4-fluorophenyl)pyrazol-4-yl]-phenylmethanone
PubChem CID175118689
Molecular FormulaC23H15FN2O2
Molecular Weight370.38 g/mol
Exact Mass370.11
IUPAC Name[3-benzoyl-1-(4-fluorophenyl)pyrazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn(-c2ccc(F)cc2)nc1C(=O)c1ccccc1
InChIInChI=1S/C23H15FN2O2/c24-18-11-13-19(14-12-18)26-15-20(22(27)16-7-3-1-4-8-16)21(25-26)23(28)17-9-5-2-6-10-17/h1-15H
InChIKeyQVJPNPYUKAIUFQ-UHFFFAOYSA-N
XLogP4.47
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
CID 43217709
2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile
CID 175705343
[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone
CID 12737865
1-[4-benzoyl-1-(3-bromophenyl)pyrazol-3-yl]ethanone
CID 1214642
(4-fluorophenyl)-phenylmethanone
CID 161464622
ethyl 1-(4-fluorophenyl)-4-(10H-phenothiazine-2-carbonyl)pyrazole-3-carboxylate
CID 102101429
3-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-1-phenylpyrazole-4-carboxylic acid
CID 135736470
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone
CID 902113
1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 154461777
1-(3-fluorophenyl)pyrazole-3,4-dicarboxylic acid
CID 82131402

Frequently Asked Questions

What is the IUPAC name of [3-benzoyl-1-(4-fluorophenyl)pyrazol-4-yl]-phenylmethanone?
The IUPAC name of [3-benzoyl-1-(4-fluorophenyl)pyrazol-4-yl]-phenylmethanone (CID 175118689) is [3-benzoyl-1-(4-fluorophenyl)pyrazol-4-yl]-phenylmethanone.
What is the SMILES notation for [3-benzoyl-1-(4-fluorophenyl)pyrazol-4-yl]-phenylmethanone?
The canonical SMILES for [3-benzoyl-1-(4-fluorophenyl)pyrazol-4-yl]-phenylmethanone is O=C(c1ccccc1)c1cn(-c2ccc(F)cc2)nc1C(=O)c1ccccc1.
What is the InChIKey of [3-benzoyl-1-(4-fluorophenyl)pyrazol-4-yl]-phenylmethanone?
The InChIKey is QVJPNPYUKAIUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN2O2/c24-18-11-13-19(14-12-18)26-15-20(22(27)16-7-3-1-4-8-16)21(25-26)23(28)17-9-5-2-6-10-17/h1-15H.
What are the key properties of [3-benzoyl-1-(4-fluorophenyl)pyrazol-4-yl]-phenylmethanone?
[3-benzoyl-1-(4-fluorophenyl)pyrazol-4-yl]-phenylmethanone has a molecular weight of 370.38 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzoyl-1-(4-fluorophenyl)pyrazol-4-yl]-phenylmethanone is sourced from PubChem (CID 175118689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).