4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide

C12H13ClN4O3S — CID 3604338

IUPAC4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1Cl
InChIInChI=1S/C12H13ClN4O3S/c1-7-10(13)11(17(2)16-7)12(18)15-8-3-5-9(6-4-8)21(14,19)20/h3-6H,1-2H3,(H,15,18)(H2,14,19,20)
InChIKeyPMLRPNXFDOPWBB-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.28
Rot. Bonds3

About 4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide

4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide (PubChem CID 3604338) has the molecular formula C12H13ClN4O3S and a molecular weight of 328.78 g/mol. Its IUPAC name is 4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide
PubChem CID3604338
Molecular FormulaC12H13ClN4O3S
Molecular Weight328.78 g/mol
Exact Mass328.04
IUPAC Name4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1Cl
InChIInChI=1S/C12H13ClN4O3S/c1-7-10(13)11(17(2)16-7)12(18)15-8-3-5-9(6-4-8)21(14,19)20/h3-6H,1-2H3,(H,15,18)(H2,14,19,20)
InChIKeyPMLRPNXFDOPWBB-UHFFFAOYSA-N
XLogP1.28
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 19476903
4-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19477146
4-chloro-N-(3-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4615060
1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 35325067
methyl 3-chloro-6-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 19477078
N'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide
CID 146152519
4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107618406
5-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide
CID 84576736
4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121059
4-chloro-N-(2,6-dibromo-4-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19476887
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylphenyl)benzamide
CID 26239294
4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 130408598

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide (CID 3604338) is 4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide is Cc1nn(C)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1Cl.
What is the InChIKey of 4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide?
The InChIKey is PMLRPNXFDOPWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3S/c1-7-10(13)11(17(2)16-7)12(18)15-8-3-5-9(6-4-8)21(14,19)20/h3-6H,1-2H3,(H,15,18)(H2,14,19,20).
What are the key properties of 4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide?
4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide has a molecular weight of 328.78 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3604338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).