5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid

C10H13N3O4S — CID 106224085

IUPAC5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid
SMILESC#CC(CC)NS(=O)(=O)c1c(C(=O)O)n[nH]c1C
InChIInChI=1S/C10H13N3O4S/c1-4-7(5-2)13-18(16,17)9-6(3)11-12-8(9)10(14)15/h1,7,13H,5H2,2-3H3,(H,11,12)(H,14,15)
InChIKeyYXHQNAXXNIVHKH-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.11
Rot. Bonds5

About 5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid

5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid (PubChem CID 106224085) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid
PubChem CID106224085
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid
SMILESC#CC(CC)NS(=O)(=O)c1c(C(=O)O)n[nH]c1C
InChIInChI=1S/C10H13N3O4S/c1-4-7(5-2)13-18(16,17)9-6(3)11-12-8(9)10(14)15/h1,7,13H,5H2,2-3H3,(H,11,12)(H,14,15)
InChIKeyYXHQNAXXNIVHKH-UHFFFAOYSA-N
XLogP0.11
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-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

4-(chlorosulfonyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 53621968
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 64262639
5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3-carboxylic acid
CID 64263005
4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 64263229
4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 64263230
5-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 64263240
5-methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 64263421
5-methyl-4-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-3-carboxylic acid
CID 64263632
5-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 64263812
5-methyl-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 64264397
5-methyl-4-[methyl(3,3,3-trifluoropropyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 65533453
5-methyl-4-(2,2,2-trifluoroethoxysulfamoyl)-1H-pyrazole-3-carboxylic acid
CID 82706285

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid (CID 106224085) is 5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid is C#CC(CC)NS(=O)(=O)c1c(C(=O)O)n[nH]c1C.
What is the InChIKey of 5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is YXHQNAXXNIVHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-4-7(5-2)13-18(16,17)9-6(3)11-12-8(9)10(14)15/h1,7,13H,5H2,2-3H3,(H,11,12)(H,14,15).
What are the key properties of 5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid?
5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(pent-1-yn-3-ylsulfamoyl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 106224085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).