1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid

C13H9FN2O2S — CID 2329100

IUPAC1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)O)cc12
InChIInChI=1S/C13H9FN2O2S/c1-7-10-6-11(13(17)18)19-12(10)16(15-7)9-4-2-8(14)3-5-9/h2-6H,1H3,(H,17,18)
InChIKeyVCAOXDAQDFIRFL-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.23
Rot. Bonds2

About 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid

1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid (PubChem CID 2329100) has the molecular formula C13H9FN2O2S and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
PubChem CID2329100
Molecular FormulaC13H9FN2O2S
Molecular Weight276.29 g/mol
Exact Mass276.04
IUPAC Name1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)O)cc12
InChIInChI=1S/C13H9FN2O2S/c1-7-10-6-11(13(17)18)19-12(10)16(15-7)9-4-2-8(14)3-5-9/h2-6H,1H3,(H,17,18)
InChIKeyVCAOXDAQDFIRFL-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-3-methylthieno[3,2-d]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-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid (CID 2329100) is 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)O)cc12.
What is the InChIKey of 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid?
The InChIKey is VCAOXDAQDFIRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S/c1-7-10-6-11(13(17)18)19-12(10)16(15-7)9-4-2-8(14)3-5-9/h2-6H,1H3,(H,17,18).
What are the key properties of 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid?
1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 2329100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).