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

C15H11ClN2O2S — CID 43439149

IUPAC3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(-n2cc(C(=O)O)c(-c3ccc(Cl)s3)n2)cc1
InChIInChI=1S/C15H11ClN2O2S/c1-9-2-4-10(5-3-9)18-8-11(15(19)20)14(17-18)12-6-7-13(16)21-12/h2-8H,1H3,(H,19,20)
InChIKeyLHRGZHLWZNFWML-UHFFFAOYSA-N
MW318.79 g/mol
LogP4.26
Rot. Bonds3

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

3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid (PubChem CID 43439149) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid
PubChem CID43439149
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(-n2cc(C(=O)O)c(-c3ccc(Cl)s3)n2)cc1
InChIInChI=1S/C15H11ClN2O2S/c1-9-2-4-10(5-3-9)18-8-11(15(19)20)14(17-18)12-6-7-13(16)21-12/h2-8H,1H3,(H,19,20)
InChIKeyLHRGZHLWZNFWML-UHFFFAOYSA-N
XLogP4.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid
CID 43324362
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid
CID 43542847
3-(5-bromofuran-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 104653663
1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324242
3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 43324323
3-[[3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carbonyl]amino]-4-fluorobenzoic acid
CID 142738851
3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-amine
CID 17433375
1-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
CID 43439093
3-(4-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543103
3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl chloride
CID 12965031
1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
CID 43439107
3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid
CID 52916544

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid (CID 43439149) is 3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid is Cc1ccc(-n2cc(C(=O)O)c(-c3ccc(Cl)s3)n2)cc1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid?
The InChIKey is LHRGZHLWZNFWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c1-9-2-4-10(5-3-9)18-8-11(15(19)20)14(17-18)12-6-7-13(16)21-12/h2-8H,1H3,(H,19,20).
What are the key properties of 3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid?
3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid has a molecular weight of 318.79 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 43439149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).