3-(2-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid

C15H10ClN3O2 — CID 43543102

IUPAC3-(2-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccncc2)nc1-c1ccccc1Cl
InChIInChI=1S/C15H10ClN3O2/c16-13-4-2-1-3-11(13)14-12(15(20)21)9-19(18-14)10-5-7-17-8-6-10/h1-9H,(H,20,21)
InChIKeyFZVSVSGMOQCVBK-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.29
Rot. Bonds3

About 3-(2-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid

3-(2-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid (PubChem CID 43543102) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
PubChem CID43543102
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name3-(2-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccncc2)nc1-c1ccccc1Cl
InChIInChI=1S/C15H10ClN3O2/c16-13-4-2-1-3-11(13)14-12(15(20)21)9-19(18-14)10-5-7-17-8-6-10/h1-9H,(H,20,21)
InChIKeyFZVSVSGMOQCVBK-UHFFFAOYSA-N
XLogP3.29
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543103
3-(4-fluorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543095
2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
3-(2-chlorophenyl)pyridine-4-carboxylic acid
CID 53222992
1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid
CID 43381532
1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324242
1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
CID 43217709
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 3710502
3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 30157703
N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
CID 166184461
2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid
CID 82392303
2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82556787

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(2-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid (CID 43543102) is 3-(2-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(2-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccncc2)nc1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid?
The InChIKey is FZVSVSGMOQCVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-13-4-2-1-3-11(13)14-12(15(20)21)9-19(18-14)10-5-7-17-8-6-10/h1-9H,(H,20,21).
What are the key properties of 3-(2-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid?
3-(2-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid has a molecular weight of 299.72 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43543102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).