3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carboxylic acid

C14H9ClN2O2S — CID 976634

IUPAC3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)s1
InChIInChI=1S/C14H9ClN2O2S/c15-12-7-6-11(20-12)13-10(14(18)19)8-17(16-13)9-4-2-1-3-5-9/h1-8H,(H,18,19)
InChIKeyKTIBMSOLDOLGQJ-UHFFFAOYSA-N
MW304.76 g/mol
LogP3.95
Rot. Bonds3

About 3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carboxylic acid

3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carboxylic acid (PubChem CID 976634) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carboxylic acid
PubChem CID976634
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC Name3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)s1
InChIInChI=1S/C14H9ClN2O2S/c15-12-7-6-11(20-12)13-10(14(18)19)8-17(16-13)9-4-2-1-3-5-9/h1-8H,(H,18,19)
InChIKeyKTIBMSOLDOLGQJ-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-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 3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carboxylic acid (CID 976634) is 3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carboxylic acid?
The InChIKey is KTIBMSOLDOLGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c15-12-7-6-11(20-12)13-10(14(18)19)8-17(16-13)9-4-2-1-3-5-9/h1-8H,(H,18,19).
What are the key properties of 3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carboxylic acid?
3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carboxylic acid has a molecular weight of 304.76 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 976634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).