5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid

C12H14N4O4S — CID 114698510

IUPAC5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid
SMILESCc1cnccc1CNS(=O)(=O)c1c(C(=O)O)n[nH]c1C
InChIInChI=1S/C12H14N4O4S/c1-7-5-13-4-3-9(7)6-14-21(19,20)11-8(2)15-16-10(11)12(17)18/h3-5,14H,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPIUPWTCWEDIVKL-UHFFFAOYSA-N
MW310.33 g/mol
LogP0.60
Rot. Bonds5

About 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid

5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid (PubChem CID 114698510) has the molecular formula C12H14N4O4S and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid
PubChem CID114698510
Molecular FormulaC12H14N4O4S
Molecular Weight310.33 g/mol
Exact Mass310.07
IUPAC Name5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid
SMILESCc1cnccc1CNS(=O)(=O)c1c(C(=O)O)n[nH]c1C
InChIInChI=1S/C12H14N4O4S/c1-7-5-13-4-3-9(7)6-14-21(19,20)11-8(2)15-16-10(11)12(17)18/h3-5,14H,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyPIUPWTCWEDIVKL-UHFFFAOYSA-N
XLogP0.60
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114698528
4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698288
3-[(3-methyl-4-pyridinyl)methylsulfamoyl]benzoic acid
CID 114698508
5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid
CID 114698518
5-methyl-4-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 81394759
4-amino-2,6-difluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698255
4-amino-2,6-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698306
N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
CID 114701597
3-[(3-methyl-4-pyridinyl)methylamino]pyrazine-2-carboxylic acid
CID 114701905
4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114701636
4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 106168698
4-amino-N-[(3-methyl-4-pyridinyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 114698169

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid (CID 114698510) is 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid is Cc1cnccc1CNS(=O)(=O)c1c(C(=O)O)n[nH]c1C.
What is the InChIKey of 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is PIUPWTCWEDIVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-7-5-13-4-3-9(7)6-14-21(19,20)11-8(2)15-16-10(11)12(17)18/h3-5,14H,6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid?
5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 114698510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).