1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone

C21H22N2O — CID 168890623

IUPAC1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone
SMILESCC(=O)c1nn(-c2ccc(C)cc2C)c(-c2ccc(C)cc2)c1C
InChIInChI=1S/C21H22N2O/c1-13-6-9-18(10-7-13)21-16(4)20(17(5)24)22-23(21)19-11-8-14(2)12-15(19)3/h6-12H,1-5H3
InChIKeyJUQLGEYGBWSMKD-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.98
Rot. Bonds3

About 1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone

1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone (PubChem CID 168890623) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone
PubChem CID168890623
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone
SMILESCC(=O)c1nn(-c2ccc(C)cc2C)c(-c2ccc(C)cc2)c1C
InChIInChI=1S/C21H22N2O/c1-13-6-9-18(10-7-13)21-16(4)20(17(5)24)22-23(21)19-11-8-14(2)12-15(19)3/h6-12H,1-5H3
InChIKeyJUQLGEYGBWSMKD-UHFFFAOYSA-N
XLogP4.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 143368612
5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-3-methylpyrazole-4-carboxylate
CID 7144432
5-[[1-(4-chloro-2-methylphenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid
CID 24748077
N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-4-methylpyrazole-3-carboxamide
CID 163482234
1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide
CID 59703686
1-[[1-(2,4-dimethylphenyl)-4-methyl-5-phenylpyrazole-3-carbonyl]amino]piperidine-3-carboxamide
CID 59217858
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2,2,2-trifluoroethanone
CID 71654208
1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone
CID 43381602
1-(2,4-dimethylphenyl)-7-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxylic acid
CID 163942992
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 66844170
2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 24748688
1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 13132138

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone (CID 168890623) is 1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone is CC(=O)c1nn(-c2ccc(C)cc2C)c(-c2ccc(C)cc2)c1C.
What is the InChIKey of 1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone?
The InChIKey is JUQLGEYGBWSMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-13-6-9-18(10-7-13)21-16(4)20(17(5)24)22-23(21)19-11-8-14(2)12-15(19)3/h6-12H,1-5H3.
What are the key properties of 1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone?
1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone has a molecular weight of 318.42 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone is sourced from PubChem (CID 168890623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).