3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid

C9H9N3O4S2 — CID 64528858

IUPAC3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)[nH]n2)s1
InChIInChI=1S/C9H9N3O4S2/c1-5-2-3-8(17-5)18(15,16)12-7-4-6(9(13)14)10-11-7/h2-4H,1H3,(H,13,14)(H2,10,11,12)
InChIKeyYCWROMKYPZSCFF-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.28
Rot. Bonds4

About 3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid

3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64528858) has the molecular formula C9H9N3O4S2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
PubChem CID64528858
Molecular FormulaC9H9N3O4S2
Molecular Weight287.32 g/mol
Exact Mass287.00
IUPAC Name3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)[nH]n2)s1
InChIInChI=1S/C9H9N3O4S2/c1-5-2-3-8(17-5)18(15,16)12-7-4-6(9(13)14)10-11-7/h2-4H,1H3,(H,13,14)(H2,10,11,12)
InChIKeyYCWROMKYPZSCFF-UHFFFAOYSA-N
XLogP1.28
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-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

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid (CID 64528858) is 3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)[nH]n2)s1.
What is the InChIKey of 3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is YCWROMKYPZSCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S2/c1-5-2-3-8(17-5)18(15,16)12-7-4-6(9(13)14)10-11-7/h2-4H,1H3,(H,13,14)(H2,10,11,12).
What are the key properties of 3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64528858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).