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

C15H13ClN2O2S — CID 43328358

IUPAC1-(3-chlorophenyl)-3-propylthieno[2,3-c]pyrazole-5-carboxylic acid
SMILESCCCc1nn(-c2cccc(Cl)c2)c2sc(C(=O)O)cc12
InChIInChI=1S/C15H13ClN2O2S/c1-2-4-12-11-8-13(15(19)20)21-14(11)18(17-12)10-6-3-5-9(16)7-10/h3,5-8H,2,4H2,1H3,(H,19,20)
InChIKeySCEYIZDCHIFJQV-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.39
Rot. Bonds4

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

1-(3-chlorophenyl)-3-propylthieno[2,3-c]pyrazole-5-carboxylic acid (PubChem CID 43328358) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-propylthieno[2,3-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-propylthieno[2,3-c]pyrazole-5-carboxylic acid
PubChem CID43328358
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name1-(3-chlorophenyl)-3-propylthieno[2,3-c]pyrazole-5-carboxylic acid
SMILESCCCc1nn(-c2cccc(Cl)c2)c2sc(C(=O)O)cc12
InChIInChI=1S/C15H13ClN2O2S/c1-2-4-12-11-8-13(15(19)20)21-14(11)18(17-12)10-6-3-5-9(16)7-10/h3,5-8H,2,4H2,1H3,(H,19,20)
InChIKeySCEYIZDCHIFJQV-UHFFFAOYSA-N
XLogP4.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-3-propylthieno[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

Related Compounds

1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 2363675
1-(3-chlorophenyl)-3-(difluoromethyl)thieno[3,2-d]pyrazole-5-carboxylic acid
CID 62892421
1-(4-chloro-3-fluorophenyl)-3-ethylthieno[2,3-c]pyrazole-5-carboxylic acid
CID 79130721
1-benzyl-3-butylthieno[2,3-c]pyrazole-5-carboxylic acid
CID 82184016
1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 43328356
[2-(diethylamino)-2-oxoethyl] 1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2525175
N-(2-acetamidoethyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27740679
[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 119467604
1-(3-carboxyphenyl)-5-chloro-3-propylpyrazole-4-carboxylic acid
CID 95993436
N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 120508597
5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
CID 71255665
[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 112790787

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-propylthieno[2,3-c]pyrazole-5-carboxylic acid?
The IUPAC name of 1-(3-chlorophenyl)-3-propylthieno[2,3-c]pyrazole-5-carboxylic acid (CID 43328358) is 1-(3-chlorophenyl)-3-propylthieno[2,3-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(3-chlorophenyl)-3-propylthieno[2,3-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(3-chlorophenyl)-3-propylthieno[2,3-c]pyrazole-5-carboxylic acid is CCCc1nn(-c2cccc(Cl)c2)c2sc(C(=O)O)cc12.
What is the InChIKey of 1-(3-chlorophenyl)-3-propylthieno[2,3-c]pyrazole-5-carboxylic acid?
The InChIKey is SCEYIZDCHIFJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-2-4-12-11-8-13(15(19)20)21-14(11)18(17-12)10-6-3-5-9(16)7-10/h3,5-8H,2,4H2,1H3,(H,19,20).
What are the key properties of 1-(3-chlorophenyl)-3-propylthieno[2,3-c]pyrazole-5-carboxylic acid?
1-(3-chlorophenyl)-3-propylthieno[2,3-c]pyrazole-5-carboxylic acid has a molecular weight of 320.80 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-propylthieno[2,3-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 43328358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).