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

C12H19N3O5S — CID 114948660

IUPAC3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(S(=O)(=O)N(C)CC2(O)CCCC2)c1C(=O)O
InChIInChI=1S/C12H19N3O5S/c1-8-9(11(16)17)10(14-13-8)21(19,20)15(2)7-12(18)5-3-4-6-12/h18H,3-7H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyUGVPUIHMTZFYLD-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.34
Rot. Bonds5

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

3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid (PubChem CID 114948660) has the molecular formula C12H19N3O5S and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid
PubChem CID114948660
Molecular FormulaC12H19N3O5S
Molecular Weight317.37 g/mol
Exact Mass317.10
IUPAC Name3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(S(=O)(=O)N(C)CC2(O)CCCC2)c1C(=O)O
InChIInChI=1S/C12H19N3O5S/c1-8-9(11(16)17)10(14-13-8)21(19,20)15(2)7-12(18)5-3-4-6-12/h18H,3-7H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyUGVPUIHMTZFYLD-UHFFFAOYSA-N
XLogP0.34
TPSA123.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methyl-1H-pyrazole-4-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-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid
CID 62034754
3-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid
CID 64180373
5-methyl-3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 64182274
5-methyl-3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 64182279
5-methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 64182282
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid
CID 64182293
5-methyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 65535989
3-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid
CID 107479026
3-[2,2-difluoroethyl(methyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid
CID 113502616
5-((4-carbamoylpiperidin-1-yl)sulfonyl)-3-methyl-1H-pyrazole-4-carboxylic acid
CID 62033124
3-methyl-5-(morpholinosulfonyl)-1H-pyrazole-4-carboxylic acid
CID 62033667
ethyl 3-[cyclopentyl(methyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate
CID 47072092

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid (CID 114948660) is 3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid is Cc1[nH]nc(S(=O)(=O)N(C)CC2(O)CCCC2)c1C(=O)O.
What is the InChIKey of 3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is UGVPUIHMTZFYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S/c1-8-9(11(16)17)10(14-13-8)21(19,20)15(2)7-12(18)5-3-4-6-12/h18H,3-7H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid?
3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 317.37 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 114948660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).