1-(4-chlorophenyl)-N-cyclopropyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxamide

C19H17ClN4O3S — CID 162644554

IUPAC1-(4-chlorophenyl)-N-cyclopropyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-c2cc(C(=O)NC3CC3)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClN4O3S/c20-13-3-7-15(8-4-13)24-18(11-17(23-24)19(25)22-14-5-6-14)12-1-9-16(10-2-12)28(21,26)27/h1-4,7-11,14H,5-6H2,(H,22,25)(H2,21,26,27)
InChIKeyGHUANDYTBLSGAR-UHFFFAOYSA-N
MW416.89 g/mol
LogP2.73
Rot. Bonds5

About 1-(4-chlorophenyl)-N-cyclopropyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxamide

1-(4-chlorophenyl)-N-cyclopropyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 162644554) has the molecular formula C19H17ClN4O3S and a molecular weight of 416.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclopropyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclopropyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID162644554
Molecular FormulaC19H17ClN4O3S
Molecular Weight416.89 g/mol
Exact Mass416.07
IUPAC Name1-(4-chlorophenyl)-N-cyclopropyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-c2cc(C(=O)NC3CC3)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClN4O3S/c20-13-3-7-15(8-4-13)24-18(11-17(23-24)19(25)22-14-5-6-14)12-1-9-16(10-2-12)28(21,26)27/h1-4,7-11,14H,5-6H2,(H,22,25)(H2,21,26,27)
InChIKeyGHUANDYTBLSGAR-UHFFFAOYSA-N
XLogP2.73
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11102692
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CID 138756828
n-(3-Chlorophenyl)-[1-(4-aminosulfonylphenyl)-5-(4-fluorophenyl)-1h-pyrazol-3-yl]carboxamide
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5-(4-chlorophenyl)-N-[(Z)-octadec-9-enyl]-1-phenylpyrazole-3-carboxamide
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1,5-bis(4-chlorophenyl)-N-[(Z)-octadec-9-enyl]pyrazole-3-carboxamide
CID 25147743
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[[4-(methanesulfonamidomethyl)cyclohexyl]methyl]-4-methylpyrazole-3-carboxamide
CID 53483967
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[7-(sulfamoylamino)heptyl]pyrazole-3-carboxamide
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CID 56668680
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-methanesulfonyl-piperidin-4-yl)-4-methyl-1H-pyrazole-3-carboxamide
CID 57343550
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 150503533
4-[5-(3-Chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
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4-[5-(3-Chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclopropyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclopropyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 162644554) is 1-(4-chlorophenyl)-N-cyclopropyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclopropyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclopropyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxamide is NS(=O)(=O)c1ccc(-c2cc(C(=O)NC3CC3)nn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclopropyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is GHUANDYTBLSGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3S/c20-13-3-7-15(8-4-13)24-18(11-17(23-24)19(25)22-14-5-6-14)12-1-9-16(10-2-12)28(21,26)27/h1-4,7-11,14H,5-6H2,(H,22,25)(H2,21,26,27).
What are the key properties of 1-(4-chlorophenyl)-N-cyclopropyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
1-(4-chlorophenyl)-N-cyclopropyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 416.89 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclopropyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 162644554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).