3,5-dimethyl-N-[4-(sulfamoylmethyl)phenyl]-1H-pyrazole-4-carboxamide

C13H16N4O3S — CID 61259959

IUPAC3,5-dimethyl-N-[4-(sulfamoylmethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C13H16N4O3S/c1-8-12(9(2)17-16-8)13(18)15-11-5-3-10(4-6-11)7-21(14,19)20/h3-6H,7H2,1-2H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyJQEYJFVUJLFTAJ-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.07
Rot. Bonds4

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

3,5-dimethyl-N-[4-(sulfamoylmethyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 61259959) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-(sulfamoylmethyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-(sulfamoylmethyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID61259959
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name3,5-dimethyl-N-[4-(sulfamoylmethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C13H16N4O3S/c1-8-12(9(2)17-16-8)13(18)15-11-5-3-10(4-6-11)7-21(14,19)20/h3-6H,7H2,1-2H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyJQEYJFVUJLFTAJ-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorobenzyl)-3-methyl-5-(N-(p-tolyl)sulfamoyl)-1H-pyrazole-4-carboxamide
CID 49659536
1-tert-butyl-3,5-dimethyl-N-(4-methyl-3-sulfamoylphenyl)pyrazole-4-carboxamide
CID 51117905
4-(3,5-dimethylpyrazol-1-yl)-N-propylsulfonylbenzamide
CID 72005948
3-[4-(dimethylamino)phenyl]-N-[(E)-3-methylsulfonylprop-2-enyl]-1H-pyrazole-5-carboxamide
CID 177645290
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 15999109
3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 10703885
N-(3,4-difluorophenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 49659499
N-(3-chloro-4-fluorophenyl)-3-methyl-5-(N-(p-tolyl)sulfamoyl)-1H-pyrazole-4-carboxamide
CID 49659501
N-[(2-fluorophenyl)methyl]-3-methyl-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 49659534
N-(4-acetamidophenyl)sulfonyl-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 72133763
3,5-dimethyl-N-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
CID 18768774
3,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 18768794

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-(sulfamoylmethyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[4-(sulfamoylmethyl)phenyl]-1H-pyrazole-4-carboxamide (CID 61259959) is 3,5-dimethyl-N-[4-(sulfamoylmethyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-(sulfamoylmethyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[4-(sulfamoylmethyl)phenyl]-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of 3,5-dimethyl-N-[4-(sulfamoylmethyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is JQEYJFVUJLFTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-8-12(9(2)17-16-8)13(18)15-11-5-3-10(4-6-11)7-21(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-(sulfamoylmethyl)phenyl]-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[4-(sulfamoylmethyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 1.07, 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-(sulfamoylmethyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61259959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).