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

C14H8Cl2N2O2S — CID 28543080

IUPAC1-(4-chlorophenyl)-5-(5-chlorothiophen-2-yl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)s2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H8Cl2N2O2S/c15-8-1-3-9(4-2-8)18-11(7-10(17-18)14(19)20)12-5-6-13(16)21-12/h1-7H,(H,19,20)
InChIKeyQRJNZSQISMJELT-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.61
Rot. Bonds3

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

1-(4-chlorophenyl)-5-(5-chlorothiophen-2-yl)pyrazole-3-carboxylic acid (PubChem CID 28543080) has the molecular formula C14H8Cl2N2O2S and a molecular weight of 339.20 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(5-chlorothiophen-2-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(5-chlorothiophen-2-yl)pyrazole-3-carboxylic acid
PubChem CID28543080
Molecular FormulaC14H8Cl2N2O2S
Molecular Weight339.20 g/mol
Exact Mass337.97
IUPAC Name1-(4-chlorophenyl)-5-(5-chlorothiophen-2-yl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)s2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H8Cl2N2O2S/c15-8-1-3-9(4-2-8)18-11(7-10(17-18)14(19)20)12-5-6-13(16)21-12/h1-7H,(H,19,20)
InChIKeyQRJNZSQISMJELT-UHFFFAOYSA-N
XLogP4.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-5-(5-chlorothiophen-2-yl)pyrazole-3-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-(4-chlorophenyl)-5-(5-chlorothiophen-2-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-5-(5-chlorothiophen-2-yl)pyrazole-3-carboxylic acid (CID 28543080) is 1-(4-chlorophenyl)-5-(5-chlorothiophen-2-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(5-chlorothiophen-2-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-5-(5-chlorothiophen-2-yl)pyrazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)s2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(5-chlorothiophen-2-yl)pyrazole-3-carboxylic acid?
The InChIKey is QRJNZSQISMJELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2S/c15-8-1-3-9(4-2-8)18-11(7-10(17-18)14(19)20)12-5-6-13(16)21-12/h1-7H,(H,19,20).
What are the key properties of 1-(4-chlorophenyl)-5-(5-chlorothiophen-2-yl)pyrazole-3-carboxylic acid?
1-(4-chlorophenyl)-5-(5-chlorothiophen-2-yl)pyrazole-3-carboxylic acid has a molecular weight of 339.20 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(5-chlorothiophen-2-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 28543080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).