1-(5-chlorothiophen-2-yl)-4-methoxypyrazole-5-carboxylic acid

C9H7ClN2O3S — CID 117232498

IUPAC1-(5-chlorothiophen-2-yl)-4-methoxypyrazole-5-carboxylic acid
SMILESCOc1cnn(-c2ccc(Cl)s2)c1C(=O)O
InChIInChI=1S/C9H7ClN2O3S/c1-15-5-4-11-12(8(5)9(13)14)7-3-2-6(10)16-7/h2-4H,1H3,(H,13,14)
InChIKeySJFJDXSMZXRKDK-UHFFFAOYSA-N
MW258.69 g/mol
LogP2.29
Rot. Bonds3

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

1-(5-chlorothiophen-2-yl)-4-methoxypyrazole-5-carboxylic acid (PubChem CID 117232498) has the molecular formula C9H7ClN2O3S and a molecular weight of 258.69 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-4-methoxypyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-4-methoxypyrazole-5-carboxylic acid
PubChem CID117232498
Molecular FormulaC9H7ClN2O3S
Molecular Weight258.69 g/mol
Exact Mass257.99
IUPAC Name1-(5-chlorothiophen-2-yl)-4-methoxypyrazole-5-carboxylic acid
SMILESCOc1cnn(-c2ccc(Cl)s2)c1C(=O)O
InChIInChI=1S/C9H7ClN2O3S/c1-15-5-4-11-12(8(5)9(13)14)7-3-2-6(10)16-7/h2-4H,1H3,(H,13,14)
InChIKeySJFJDXSMZXRKDK-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.69
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-chlorothiophen-2-yl)-4-methoxypyrazole-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-(5-chlorothiophen-2-yl)-4-methoxypyrazole-5-carboxylic acid?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-4-methoxypyrazole-5-carboxylic acid (CID 117232498) is 1-(5-chlorothiophen-2-yl)-4-methoxypyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-4-methoxypyrazole-5-carboxylic acid?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-4-methoxypyrazole-5-carboxylic acid is COc1cnn(-c2ccc(Cl)s2)c1C(=O)O.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-4-methoxypyrazole-5-carboxylic acid?
The InChIKey is SJFJDXSMZXRKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3S/c1-15-5-4-11-12(8(5)9(13)14)7-3-2-6(10)16-7/h2-4H,1H3,(H,13,14).
What are the key properties of 1-(5-chlorothiophen-2-yl)-4-methoxypyrazole-5-carboxylic acid?
1-(5-chlorothiophen-2-yl)-4-methoxypyrazole-5-carboxylic acid has a molecular weight of 258.69 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-4-methoxypyrazole-5-carboxylic acid is sourced from PubChem (CID 117232498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).