1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid

C16H13N3O3 — CID 82370915

IUPAC1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
SMILESCOc1cccc(-n2nc(-c3ccccn3)cc2C(=O)O)c1
InChIInChI=1S/C16H13N3O3/c1-22-12-6-4-5-11(9-12)19-15(16(20)21)10-14(18-19)13-7-2-3-8-17-13/h2-10H,1H3,(H,20,21)
InChIKeyZYHLWJSEQWWTRE-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.64
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid

1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid (PubChem CID 82370915) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
PubChem CID82370915
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
SMILESCOc1cccc(-n2nc(-c3ccccn3)cc2C(=O)O)c1
InChIInChI=1S/C16H13N3O3/c1-22-12-6-4-5-11(9-12)19-15(16(20)21)10-14(18-19)13-7-2-3-8-17-13/h2-10H,1H3,(H,20,21)
InChIKeyZYHLWJSEQWWTRE-UHFFFAOYSA-N
XLogP2.64
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 82370949
1-(3,5-dimethylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 82370974
3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
CID 82370914
copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate
CID 139080745
1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile
CID 82220284
1-phenyl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 82370993
1-(3-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2381730
3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate
CID 6946121
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 42755526
1-(3-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 43652213
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327
1-prop-2-enyl-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 84761183

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid?
The IUPAC name of 1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid (CID 82370915) is 1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid is COc1cccc(-n2nc(-c3ccccn3)cc2C(=O)O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid?
The InChIKey is ZYHLWJSEQWWTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-12-6-4-5-11(9-12)19-15(16(20)21)10-14(18-19)13-7-2-3-8-17-13/h2-10H,1H3,(H,20,21).
What are the key properties of 1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid?
1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 82370915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).