1-methyl-3-thiophen-2-ylpyrazole-4-carboxylic acid

C9H8N2O2S — CID 42281966

IUPAC1-methyl-3-thiophen-2-ylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(-c2cccs2)n1
InChIInChI=1S/C9H8N2O2S/c1-11-5-6(9(12)13)8(10-11)7-3-2-4-14-7/h2-5H,1H3,(H,12,13)
InChIKeyKPLDVDPCEHHBII-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.85
Rot. Bonds2

About 1-methyl-3-thiophen-2-ylpyrazole-4-carboxylic acid

1-methyl-3-thiophen-2-ylpyrazole-4-carboxylic acid (PubChem CID 42281966) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-methyl-3-thiophen-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-thiophen-2-ylpyrazole-4-carboxylic acid
PubChem CID42281966
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name1-methyl-3-thiophen-2-ylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(-c2cccs2)n1
InChIInChI=1S/C9H8N2O2S/c1-11-5-6(9(12)13)8(10-11)7-3-2-4-14-7/h2-5H,1H3,(H,12,13)
InChIKeyKPLDVDPCEHHBII-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-thiophen-2-ylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-3-thiophen-2-ylpyrazole-4-carboxylic acid (CID 42281966) is 1-methyl-3-thiophen-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-3-thiophen-2-ylpyrazole-4-carboxylic acid is Cn1cc(C(=O)O)c(-c2cccs2)n1.
What is the InChIKey of 1-methyl-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The InChIKey is KPLDVDPCEHHBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-11-5-6(9(12)13)8(10-11)7-3-2-4-14-7/h2-5H,1H3,(H,12,13).
What are the key properties of 1-methyl-3-thiophen-2-ylpyrazole-4-carboxylic acid?
1-methyl-3-thiophen-2-ylpyrazole-4-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-thiophen-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 42281966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).