1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone

C30H24N2O — CID 20821442

IUPAC1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone
SMILESCC(=O)c1c(-c2ccccc2-c2cccc(C)c2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H24N2O/c1-21-12-11-15-24(20-21)26-18-9-10-19-27(26)29-28(22(2)33)30(23-13-5-3-6-14-23)32(31-29)25-16-7-4-8-17-25/h3-20H,1-2H3
InChIKeyRUSURCDPWPGNCR-UHFFFAOYSA-N
MW428.54 g/mol
LogP7.38
Rot. Bonds5

About 1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone

1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone (PubChem CID 20821442) has the molecular formula C30H24N2O and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone
PubChem CID20821442
Molecular FormulaC30H24N2O
Molecular Weight428.54 g/mol
Exact Mass428.19
IUPAC Name1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone
SMILESCC(=O)c1c(-c2ccccc2-c2cccc(C)c2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H24N2O/c1-21-12-11-15-24(20-21)26-18-9-10-19-27(26)29-28(22(2)33)30(23-13-5-3-6-14-23)32(31-29)25-16-7-4-8-17-25/h3-20H,1-2H3
InChIKeyRUSURCDPWPGNCR-UHFFFAOYSA-N
XLogP7.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890
1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 4988708
dimethyl 1-phenyl-3-(2-phenylphenyl)pyrazole-4,5-dicarboxylate
CID 169387538
1-[2-fluoro-6-(3-methylphenyl)phenyl]ethanone
CID 175686721
1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
CID 3831748
4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole
CID 19587079
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3859853
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
dimethyl 3-[2-(4-hydroxyphenyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388183
N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone (CID 20821442) is 1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone is CC(=O)c1c(-c2ccccc2-c2cccc(C)c2)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone?
The InChIKey is RUSURCDPWPGNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O/c1-21-12-11-15-24(20-21)26-18-9-10-19-27(26)29-28(22(2)33)30(23-13-5-3-6-14-23)32(31-29)25-16-7-4-8-17-25/h3-20H,1-2H3.
What are the key properties of 1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone?
1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone has a molecular weight of 428.54 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone is sourced from PubChem (CID 20821442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).