2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid

C12H19N3O4S — CID 64909962

IUPAC2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCC1CCC(NS(=O)(=O)c2cnn(CC(=O)O)c2)C1C
InChIInChI=1S/C12H19N3O4S/c1-8-3-4-11(9(8)2)14-20(18,19)10-5-13-15(6-10)7-12(16)17/h5-6,8-9,11,14H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyWXVDDKNFCZYYEV-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.68
Rot. Bonds5

About 2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 64909962) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID64909962
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCC1CCC(NS(=O)(=O)c2cnn(CC(=O)O)c2)C1C
InChIInChI=1S/C12H19N3O4S/c1-8-3-4-11(9(8)2)14-20(18,19)10-5-13-15(6-10)7-12(16)17/h5-6,8-9,11,14H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyWXVDDKNFCZYYEV-UHFFFAOYSA-N
XLogP0.68
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic 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

1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide
CID 106069166
2-[4-[(3-methylcyclobutyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 113467121
1-(2-aminoethyl)-N-(2,3-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106060239
N-(2,3-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106060298
2-[4-[(2-prop-2-enylcyclohexyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 139014302
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216274
2-[4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510969
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 61166844
2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 107216136
2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60780508

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 64909962) is 2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid is CC1CCC(NS(=O)(=O)c2cnn(CC(=O)O)c2)C1C.
What is the InChIKey of 2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is WXVDDKNFCZYYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8-3-4-11(9(8)2)14-20(18,19)10-5-13-15(6-10)7-12(16)17/h5-6,8-9,11,14H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 301.37 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,3-dimethylcyclopentyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 64909962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).