5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid

C10H14N6O4S — CID 80685161

IUPAC5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1S(=O)(=O)NCCc1ncn(C)n1
InChIInChI=1S/C10H14N6O4S/c1-6-9(8(10(17)18)14-13-6)21(19,20)12-4-3-7-11-5-16(2)15-7/h5,12H,3-4H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyRUPYWOISXWBIRB-UHFFFAOYSA-N
MW314.33 g/mol
LogP-0.93
Rot. Bonds6

About 5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid

5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid (PubChem CID 80685161) has the molecular formula C10H14N6O4S and a molecular weight of 314.33 g/mol. Its IUPAC name is 5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid
PubChem CID80685161
Molecular FormulaC10H14N6O4S
Molecular Weight314.33 g/mol
Exact Mass314.08
IUPAC Name5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1S(=O)(=O)NCCc1ncn(C)n1
InChIInChI=1S/C10H14N6O4S/c1-6-9(8(10(17)18)14-13-6)21(19,20)12-4-3-7-11-5-16(2)15-7/h5,12H,3-4H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyRUPYWOISXWBIRB-UHFFFAOYSA-N
XLogP-0.93
TPSA142.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-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-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106093623
2-amino-6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 80681368
2-amino-4,6-dichloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 80684988
4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 106168698
3-methyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]butanoic acid
CID 103258027
3-[3-(1-methyl-1,2,4-triazol-3-yl)propylsulfamoyl]thiophene-2-carboxylic acid
CID 139014035
5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 114698510
3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propanoic acid
CID 80682574
1-methylsulfonyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 80682240
5-(aminomethyl)-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106073578
3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110415649
3-(aminomethyl)-5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 106064166

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid (CID 80685161) is 5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid is Cc1[nH]nc(C(=O)O)c1S(=O)(=O)NCCc1ncn(C)n1.
What is the InChIKey of 5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is RUPYWOISXWBIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O4S/c1-6-9(8(10(17)18)14-13-6)21(19,20)12-4-3-7-11-5-16(2)15-7/h5,12H,3-4H2,1-2H3,(H,13,14)(H,17,18).
What are the key properties of 5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid?
5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 314.33 g/mol, XLogP of -0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 80685161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).