(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone

C17H14N2O — CID 10706606

IUPAC(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C17H14N2O/c1-13-16(17(20)14-8-4-2-5-9-14)12-18-19(13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyPMAWJLAPWOCAEP-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.41
Rot. Bonds3

About (5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone

(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone (PubChem CID 10706606) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
PubChem CID10706606
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C17H14N2O/c1-13-16(17(20)14-8-4-2-5-9-14)12-18-19(13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyPMAWJLAPWOCAEP-UHFFFAOYSA-N
XLogP3.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[methyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 99849354
methyl 4-(5-methyl-1-phenylpyrazol-4-yl)-2,4-dioxobutanoate
CID 4736888
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 46554811
N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 78863932
N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804181
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide
CID 163629755
N-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 34424786
ethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate
CID 25148399
(E)-3-(2-methoxyphenyl)-1-(5-methyl-1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 31247802

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone?
The IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone (CID 10706606) is (5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone.
What is the SMILES notation for (5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone?
The canonical SMILES for (5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone is Cc1c(C(=O)c2ccccc2)cnn1-c1ccccc1.
What is the InChIKey of (5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone?
The InChIKey is PMAWJLAPWOCAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-13-16(17(20)14-8-4-2-5-9-14)12-18-19(13)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of (5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone?
(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone has a molecular weight of 262.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone is sourced from PubChem (CID 10706606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).