1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide

C20H20ClN3O3S — CID 34194090

IUPAC1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl
InChIInChI=1S/C20H20ClN3O3S/c1-13-9-10-16(28(3,26)27)11-17(13)22-20(25)18-14(2)23-24(19(18)21)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyAREOVAULVHTDBY-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.86
Rot. Bonds5

About 1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide

1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide (PubChem CID 34194090) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide
PubChem CID34194090
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl
InChIInChI=1S/C20H20ClN3O3S/c1-13-9-10-16(28(3,26)27)11-17(13)22-20(25)18-14(2)23-24(19(18)21)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyAREOVAULVHTDBY-UHFFFAOYSA-N
XLogP3.86
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide 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

5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 29498844
1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide
CID 43025487
3-benzyl-N-(2-methyl-5-methylsulfonylphenyl)-4-oxophthalazine-1-carboxamide
CID 27990833
1-benzyl-5-chloro-N-(2-hydroxyethyl)-3-methylpyrazole-4-carboxamide
CID 78800646
1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8893300
1-benzyl-5-chloro-N-(3-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 9042502
1-benzyl-5-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-3-methylpyrazole-4-carboxamide
CID 55817240
1-benzyl-5-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 7957023
1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 55796545
5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 55783366
1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
CID 9225352
1-benzyl-5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylpyrazole-4-carboxamide
CID 30480679

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide (CID 34194090) is 1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl.
What is the InChIKey of 1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide?
The InChIKey is AREOVAULVHTDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-13-9-10-16(28(3,26)27)11-17(13)22-20(25)18-14(2)23-24(19(18)21)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of 1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide?
1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide has a molecular weight of 417.92 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 34194090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).