1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid

C15H11ClN2O2S — CID 43324362

IUPAC1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid
SMILESCc1ccc(-c2nn(-c3cccc(Cl)c3)cc2C(=O)O)s1
InChIInChI=1S/C15H11ClN2O2S/c1-9-5-6-13(21-9)14-12(15(19)20)8-18(17-14)11-4-2-3-10(16)7-11/h2-8H,1H3,(H,19,20)
InChIKeyMJCXCCYALKKFAK-UHFFFAOYSA-N
MW318.79 g/mol
LogP4.26
Rot. Bonds3

About 1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid

1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid (PubChem CID 43324362) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid
PubChem CID43324362
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid
SMILESCc1ccc(-c2nn(-c3cccc(Cl)c3)cc2C(=O)O)s1
InChIInChI=1S/C15H11ClN2O2S/c1-9-5-6-13(21-9)14-12(15(19)20)8-18(17-14)11-4-2-3-10(16)7-11/h2-8H,1H3,(H,19,20)
InChIKeyMJCXCCYALKKFAK-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

3-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 43439149
3-(5-methylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 43324323
3-[[3-(5-methylthiophen-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 142738645
1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 114798384
1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324242
3-(3-chlorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141384
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid
CID 43542847
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 3710502
1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324453
3-(3-chlorophenyl)-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 154929741
1-(4-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83216565
3-[[3-(5-chlorothiophen-2-yl)-1-phenylpyrazole-4-carbonyl]amino]-4-fluorobenzoic acid
CID 142738851

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid (CID 43324362) is 1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid is Cc1ccc(-c2nn(-c3cccc(Cl)c3)cc2C(=O)O)s1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is MJCXCCYALKKFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c1-9-5-6-13(21-9)14-12(15(19)20)8-18(17-14)11-4-2-3-10(16)7-11/h2-8H,1H3,(H,19,20).
What are the key properties of 1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid?
1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)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 1-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 43324362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).