(4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone

C17H13FN2O — CID 105095655

IUPAC(4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone
SMILESCc1cc(F)ccc1C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H13FN2O/c1-12-11-13(18)7-8-15(12)17(21)16-9-10-20(19-16)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeySCMMJMQIMRPFPT-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.55
Rot. Bonds3

About (4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone

(4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone (PubChem CID 105095655) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone
PubChem CID105095655
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name(4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone
SMILESCc1cc(F)ccc1C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H13FN2O/c1-12-11-13(18)7-8-15(12)17(21)16-9-10-20(19-16)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeySCMMJMQIMRPFPT-UHFFFAOYSA-N
XLogP3.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone
CID 105095971
1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 28974076
ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873
(4-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 63554344
(5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195470
(5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone
CID 105095437
(1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone
CID 105101057
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 81273528
2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide
CID 47021837
(2-amino-5-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103130515
(2,4-dimethylphenyl)-(2-phenyltriazol-4-yl)methanone
CID 105097956
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone (CID 105095655) is (4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone is Cc1cc(F)ccc1C(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone?
The InChIKey is SCMMJMQIMRPFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-12-11-13(18)7-8-15(12)17(21)16-9-10-20(19-16)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone?
(4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone has a molecular weight of 280.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 105095655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).