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

C15H10ClN3O2 — CID 43381532

IUPAC1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2Cl)nc1-c1ccccn1
InChIInChI=1S/C15H10ClN3O2/c16-11-5-1-2-7-13(11)19-9-10(15(20)21)14(18-19)12-6-3-4-8-17-12/h1-9H,(H,20,21)
InChIKeyMXWLGJSOEXAEEK-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.29
Rot. Bonds3

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

1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid (PubChem CID 43381532) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid
PubChem CID43381532
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2Cl)nc1-c1ccccn1
InChIInChI=1S/C15H10ClN3O2/c16-11-5-1-2-7-13(11)19-9-10(15(20)21)14(18-19)12-6-3-4-8-17-12/h1-9H,(H,20,21)
InChIKeyMXWLGJSOEXAEEK-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid (CID 43381532) is 1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccccc2Cl)nc1-c1ccccn1.
What is the InChIKey of 1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid?
The InChIKey is MXWLGJSOEXAEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-5-1-2-7-13(11)19-9-10(15(20)21)14(18-19)12-6-3-4-8-17-12/h1-9H,(H,20,21).
What are the key properties of 1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid?
1-(2-chlorophenyl)-3-pyridin-2-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 1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43381532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).