2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-(dimethylsulfamoyl)benzamide

C21H23N5O4S — CID 140929071

IUPAC2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)NC(=O)c1ccccc1-n1cc(-c2cn(C)c(=O)cc2C2CC2)cn1
InChIInChI=1S/C21H23N5O4S/c1-24(2)31(29,30)23-21(28)16-6-4-5-7-19(16)26-12-15(11-22-26)18-13-25(3)20(27)10-17(18)14-8-9-14/h4-7,10-14H,8-9H2,1-3H3,(H,23,28)
InChIKeyVGNVFFYVKWCJRI-UHFFFAOYSA-N
MW441.51 g/mol
LogP1.65
Rot. Bonds6

About 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-(dimethylsulfamoyl)benzamide

2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-(dimethylsulfamoyl)benzamide (PubChem CID 140929071) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-(dimethylsulfamoyl)benzamide
PubChem CID140929071
Molecular FormulaC21H23N5O4S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC Name2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)NC(=O)c1ccccc1-n1cc(-c2cn(C)c(=O)cc2C2CC2)cn1
InChIInChI=1S/C21H23N5O4S/c1-24(2)31(29,30)23-21(28)16-6-4-5-7-19(16)26-12-15(11-22-26)18-13-25(3)20(27)10-17(18)14-8-9-14/h4-7,10-14H,8-9H2,1-3H3,(H,23,28)
InChIKeyVGNVFFYVKWCJRI-UHFFFAOYSA-N
XLogP1.65
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-allyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 3741646
2-(4-((dimethylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 44549647
1H-Pyrazole-4-carboxamide, 1,3-diphenyl-
CID 882232
CP-703160
CID 9819134
hCB1 Inhibitor, 2{5,1,6}
CID 57332998
N-(2-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 1329852
N-(2,6-dimethylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 2123436
N-[(E)-hexan-2-ylideneamino]-1,3-diphenylpyrazole-4-carboxamide
CID 9642847
N-[(E)-3-methylpentan-2-ylideneamino]-1,3-diphenylpyrazole-4-carboxamide
CID 9660366
N-[2-(cyclopropylcarbamoyl)phenyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25614102
N-[1-[4-[[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]phenyl]ethyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 155514452
N-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 155514537

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-(dimethylsulfamoyl)benzamide?
The IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-(dimethylsulfamoyl)benzamide (CID 140929071) is 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)NC(=O)c1ccccc1-n1cc(-c2cn(C)c(=O)cc2C2CC2)cn1.
What is the InChIKey of 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-(dimethylsulfamoyl)benzamide?
The InChIKey is VGNVFFYVKWCJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S/c1-24(2)31(29,30)23-21(28)16-6-4-5-7-19(16)26-12-15(11-22-26)18-13-25(3)20(27)10-17(18)14-8-9-14/h4-7,10-14H,8-9H2,1-3H3,(H,23,28).
What are the key properties of 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-(dimethylsulfamoyl)benzamide?
2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-(dimethylsulfamoyl)benzamide has a molecular weight of 441.51 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopropyl-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]-N-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 140929071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).