[4-methyl-3-(4-methylphenyl)-5-phenylpyrazol-1-yl]-phenylmethanone

C24H20N2O — CID 13480913

IUPAC[4-methyl-3-(4-methylphenyl)-5-phenylpyrazol-1-yl]-phenylmethanone
SMILESCc1ccc(-c2nn(C(=O)c3ccccc3)c(-c3ccccc3)c2C)cc1
InChIInChI=1S/C24H20N2O/c1-17-13-15-19(16-14-17)22-18(2)23(20-9-5-3-6-10-20)26(25-22)24(27)21-11-7-4-8-12-21/h3-16H,1-2H3
InChIKeyIUQSGTZWFFJXIK-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.52
Rot. Bonds3

About [4-methyl-3-(4-methylphenyl)-5-phenylpyrazol-1-yl]-phenylmethanone

[4-methyl-3-(4-methylphenyl)-5-phenylpyrazol-1-yl]-phenylmethanone (PubChem CID 13480913) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is [4-methyl-3-(4-methylphenyl)-5-phenylpyrazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-methyl-3-(4-methylphenyl)-5-phenylpyrazol-1-yl]-phenylmethanone
PubChem CID13480913
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name[4-methyl-3-(4-methylphenyl)-5-phenylpyrazol-1-yl]-phenylmethanone
SMILESCc1ccc(-c2nn(C(=O)c3ccccc3)c(-c3ccccc3)c2C)cc1
InChIInChI=1S/C24H20N2O/c1-17-13-15-19(16-14-17)22-18(2)23(20-9-5-3-6-10-20)26(25-22)24(27)21-11-7-4-8-12-21/h3-16H,1-2H3
InChIKeyIUQSGTZWFFJXIK-UHFFFAOYSA-N
XLogP5.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone
CID 175108845
(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
(4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone
CID 78582219
1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890
5-methyl-6-(4-methylphenyl)-3-phenylpyridazine-4-carboxamide
CID 175967812
[4-[(2-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-pyridin-4-ylmethanone
CID 10253862
2-[4-methyl-3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44612019
4-(4-methylphenyl)-2-phenacylphthalazin-1-one
CID 22333322
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
CID 5261928
3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 90115939
2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one
CID 135399557
[5-(furan-2-ylmethylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-phenylmethanone
CID 2972077

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(4-methylphenyl)-5-phenylpyrazol-1-yl]-phenylmethanone?
The IUPAC name of [4-methyl-3-(4-methylphenyl)-5-phenylpyrazol-1-yl]-phenylmethanone (CID 13480913) is [4-methyl-3-(4-methylphenyl)-5-phenylpyrazol-1-yl]-phenylmethanone.
What is the SMILES notation for [4-methyl-3-(4-methylphenyl)-5-phenylpyrazol-1-yl]-phenylmethanone?
The canonical SMILES for [4-methyl-3-(4-methylphenyl)-5-phenylpyrazol-1-yl]-phenylmethanone is Cc1ccc(-c2nn(C(=O)c3ccccc3)c(-c3ccccc3)c2C)cc1.
What is the InChIKey of [4-methyl-3-(4-methylphenyl)-5-phenylpyrazol-1-yl]-phenylmethanone?
The InChIKey is IUQSGTZWFFJXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-17-13-15-19(16-14-17)22-18(2)23(20-9-5-3-6-10-20)26(25-22)24(27)21-11-7-4-8-12-21/h3-16H,1-2H3.
What are the key properties of [4-methyl-3-(4-methylphenyl)-5-phenylpyrazol-1-yl]-phenylmethanone?
[4-methyl-3-(4-methylphenyl)-5-phenylpyrazol-1-yl]-phenylmethanone has a molecular weight of 352.44 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(4-methylphenyl)-5-phenylpyrazol-1-yl]-phenylmethanone is sourced from PubChem (CID 13480913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).