N-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

C20H21N3O3S — CID 52671803

IUPACN-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cnn(-c3ccccc3C)c2C)cc1C
InChIInChI=1S/C20H21N3O3S/c1-13-9-10-17(11-15(13)3)27(25,26)22-20(24)18-12-21-23(16(18)4)19-8-6-5-7-14(19)2/h5-12H,1-4H3,(H,22,24)
InChIKeyAUOAEPBRGHWIMF-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.22
Rot. Bonds4

About N-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

N-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 52671803) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID52671803
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cnn(-c3ccccc3C)c2C)cc1C
InChIInChI=1S/C20H21N3O3S/c1-13-9-10-17(11-15(13)3)27(25,26)22-20(24)18-12-21-23(16(18)4)19-8-6-5-7-14(19)2/h5-12H,1-4H3,(H,22,24)
InChIKeyAUOAEPBRGHWIMF-UHFFFAOYSA-N
XLogP3.22
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604738
1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide
CID 166208436
1-(2,5-dimethylphenyl)-5-methyl-N-methylsulfonylpyrazole-4-carboxamide
CID 146154766
N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119382600
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 39397805
N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119505425
5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide
CID 55607208
5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide
CID 55607152
5-methyl-1-(2-methylphenyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 55605707
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55606320
N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604592
N-(3,4-dimethylphenyl)sulfonyl-3,4-dimethylbenzamide
CID 19023194

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 52671803) is N-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2cnn(-c3ccccc3C)c2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is AUOAEPBRGHWIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-9-10-17(11-15(13)3)27(25,26)22-20(24)18-12-21-23(16(18)4)19-8-6-5-7-14(19)2/h5-12H,1-4H3,(H,22,24).
What are the key properties of N-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
N-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 52671803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).