1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]pyrazole-5-carboxylic acid

C15H11ClN2O2S — CID 63353590

IUPAC1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2c(C3CC3)nn(-c3ccccc3Cl)c2s1
InChIInChI=1S/C15H11ClN2O2S/c16-10-3-1-2-4-11(10)18-14-9(7-12(21-14)15(19)20)13(17-18)8-5-6-8/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyANKNCFWCHCJSIX-UHFFFAOYSA-N
MW318.78 g/mol
LogP4.32
Rot. Bonds3

About 1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]pyrazole-5-carboxylic acid

1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]pyrazole-5-carboxylic acid (PubChem CID 63353590) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]pyrazole-5-carboxylic acid
PubChem CID63353590
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.78 g/mol
Exact Mass318.02
IUPAC Name1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2c(C3CC3)nn(-c3ccccc3Cl)c2s1
InChIInChI=1S/C15H11ClN2O2S/c16-10-3-1-2-4-11(10)18-14-9(7-12(21-14)15(19)20)13(17-18)8-5-6-8/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyANKNCFWCHCJSIX-UHFFFAOYSA-N
XLogP4.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]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 1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]pyrazole-5-carboxylic acid?
The IUPAC name of 1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]pyrazole-5-carboxylic acid (CID 63353590) is 1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]pyrazole-5-carboxylic acid is O=C(O)c1cc2c(C3CC3)nn(-c3ccccc3Cl)c2s1.
What is the InChIKey of 1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]pyrazole-5-carboxylic acid?
The InChIKey is ANKNCFWCHCJSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-10-3-1-2-4-11(10)18-14-9(7-12(21-14)15(19)20)13(17-18)8-5-6-8/h1-4,7-8H,5-6H2,(H,19,20).
What are the key properties of 1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]pyrazole-5-carboxylic acid?
1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]pyrazole-5-carboxylic acid has a molecular weight of 318.78 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-cyclopropylthieno[2,3-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 63353590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).