1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid

C15H11N3O2 — CID 20855127

IUPAC1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2)c1-c1ccncc1
InChIInChI=1S/C15H11N3O2/c19-15(20)13-10-17-18(12-4-2-1-3-5-12)14(13)11-6-8-16-9-7-11/h1-10H,(H,19,20)
InChIKeyROZFMYMLTVZRMN-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.63
Rot. Bonds3

About 1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid

1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid (PubChem CID 20855127) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid
PubChem CID20855127
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2)c1-c1ccncc1
InChIInChI=1S/C15H11N3O2/c19-15(20)13-10-17-18(12-4-2-1-3-5-12)14(13)11-6-8-16-9-7-11/h1-10H,(H,19,20)
InChIKeyROZFMYMLTVZRMN-UHFFFAOYSA-N
XLogP2.63
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine
CID 154450711
(5-phenyl-1-pyridin-4-ylpyrazol-4-yl)methanamine
CID 61368343
N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834
1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 2765904
5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 20983231
N-(1-cyanoethyl)-1,5-diphenylpyrazole-4-carboxamide
CID 171673309
1-(2-fluorophenyl)-5-pyridin-3-ylpyrazole-4-carboxylic acid
CID 82361520
5-(4-fluorophenyl)-1-phenylpyrazole-4-carbothioamide
CID 90184500
1-phenyl-5-(2-phenylethynyl)pyrazole-4-carboxylic acid
CID 53356290
bis(benzene-1,2,4,5-tetracarboxylic acid);4-pyridin-4-ylpyridine
CID 71380958
5-(1-methoxyethyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 170167757
5-(dimethoxymethyl)-1-phenylpyrazole-4-carboxylic acid
CID 97046748

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid (CID 20855127) is 1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccccc2)c1-c1ccncc1.
What is the InChIKey of 1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid?
The InChIKey is ROZFMYMLTVZRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-15(20)13-10-17-18(12-4-2-1-3-5-12)14(13)11-6-8-16-9-7-11/h1-10H,(H,19,20).
What are the key properties of 1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid?
1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 20855127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).