3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide

C13H16N4O3S — CID 43582486

IUPAC3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H16N4O3S/c1-8-12(9(2)17-16-8)13(18)15-7-10-3-5-11(6-4-10)21(14,19)20/h3-6H,7H2,1-2H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeySZBZMYFHFIUBFP-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.60
Rot. Bonds4

About 3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 43582486) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID43582486
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H16N4O3S/c1-8-12(9(2)17-16-8)13(18)15-7-10-3-5-11(6-4-10)21(14,19)20/h3-6H,7H2,1-2H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeySZBZMYFHFIUBFP-UHFFFAOYSA-N
XLogP0.60
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[(3-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 61260778
3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 54944517
5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099051
N-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61260502
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583060
3,5-dimethyl-N-[4-(sulfamoylmethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 61259959
4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 66335292
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide
CID 79777228
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 8010937

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 43582486) is 3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is SZBZMYFHFIUBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-8-12(9(2)17-16-8)13(18)15-7-10-3-5-11(6-4-10)21(14,19)20/h3-6H,7H2,1-2H3,(H,15,18)(H,16,17)(H2,14,19,20).
What are the key properties of 3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).