3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide

C26H25N3O3S — CID 25478247

IUPAC3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(Cn2cc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C26H25N3O3S/c1-18-4-8-20(9-5-18)16-29-17-24(25(28-29)21-10-6-19(2)7-11-21)26(30)27-22-12-14-23(15-13-22)33(3,31)32/h4-15,17H,16H2,1-3H3,(H,27,30)
InChIKeyDUTWNARUHJPJQC-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.87
Rot. Bonds6

About 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide

3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide (PubChem CID 25478247) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
PubChem CID25478247
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC Name3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(Cn2cc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C26H25N3O3S/c1-18-4-8-20(9-5-18)16-29-17-24(25(28-29)21-10-6-19(2)7-11-21)26(30)27-22-12-14-23(15-13-22)33(3,31)32/h4-15,17H,16H2,1-3H3,(H,27,30)
InChIKeyDUTWNARUHJPJQC-UHFFFAOYSA-N
XLogP4.87
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18225401
1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437
2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
CID 7899858
methyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate
CID 9277967
1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 30997182
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
methyl 3-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]-4-methylbenzoate
CID 18288690
1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 9224501
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 119429455
1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 43021494
propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56550784

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide (CID 25478247) is 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide is Cc1ccc(Cn2cc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
The InChIKey is DUTWNARUHJPJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-18-4-8-20(9-5-18)16-29-17-24(25(28-29)21-10-6-19(2)7-11-21)26(30)27-22-12-14-23(15-13-22)33(3,31)32/h4-15,17H,16H2,1-3H3,(H,27,30).
What are the key properties of 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 25478247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).