1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide

C21H24N4O3S — CID 9224121

IUPAC1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C21H24N4O3S/c1-16(2)24(3)29(27,28)20-11-9-19(10-12-20)23-21(26)18-13-22-25(15-18)14-17-7-5-4-6-8-17/h4-13,15-16H,14H2,1-3H3,(H,23,26)
InChIKeyAKOCRCTZXSTMFW-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.21
Rot. Bonds7

About 1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide

1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide (PubChem CID 9224121) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide
PubChem CID9224121
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C21H24N4O3S/c1-16(2)24(3)29(27,28)20-11-9-19(10-12-20)23-21(26)18-13-22-25(15-18)14-17-7-5-4-6-8-17/h4-13,15-16H,14H2,1-3H3,(H,23,26)
InChIKeyAKOCRCTZXSTMFW-UHFFFAOYSA-N
XLogP3.21
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 8759609
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-[2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 42894629
1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 27230847
4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134036658
1-benzyl-N-(3-ethynylphenyl)pyrazole-4-carboxamide
CID 46540728
1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide
CID 86996428
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 26809580
3-[methyl(propan-2-yl)sulfamoyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46423962
N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 60552677
(4S)-4-[(1-benzylpyrazole-4-carbonyl)amino]pentanoic acid
CID 97338785

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide (CID 9224121) is 1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide is CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1.
What is the InChIKey of 1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is AKOCRCTZXSTMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-16(2)24(3)29(27,28)20-11-9-19(10-12-20)23-21(26)18-13-22-25(15-18)14-17-7-5-4-6-8-17/h4-13,15-16H,14H2,1-3H3,(H,23,26).
What are the key properties of 1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide?
1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 9224121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).