3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide

C21H22N4O3S — CID 9438240

IUPAC3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C21H22N4O3S/c1-24(2)29(27,28)18-12-10-16(11-13-18)22-21(26)20-14-19(15-8-9-15)23-25(20)17-6-4-3-5-7-17/h3-7,10-15H,8-9H2,1-2H3,(H,22,26)
InChIKeyFVWFQCRMRHYZJQ-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.25
Rot. Bonds6

About 3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 9438240) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide
PubChem CID9438240
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C21H22N4O3S/c1-24(2)29(27,28)18-12-10-16(11-13-18)22-21(26)20-14-19(15-8-9-15)23-25(20)17-6-4-3-5-7-17/h3-7,10-15H,8-9H2,1-2H3,(H,22,26)
InChIKeyFVWFQCRMRHYZJQ-UHFFFAOYSA-N
XLogP3.25
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide
CID 16557342
dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 26737011
3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 27167430
3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide
CID 46439782
3-cyclopropyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenylpyrazole-5-carboxamide
CID 9437881
3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide
CID 41078982
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 9452252
N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
CID 30843040
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
CID 34136216

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide (CID 9438240) is 3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is FVWFQCRMRHYZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-24(2)29(27,28)18-12-10-16(11-13-18)22-21(26)20-14-19(15-8-9-15)23-25(20)17-6-4-3-5-7-17/h3-7,10-15H,8-9H2,1-2H3,(H,22,26).
What are the key properties of 3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 9438240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).