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

C16H13N3O2 — CID 82370949

IUPAC1-(3-methylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
SMILESCc1cccc(-n2nc(-c3ccccn3)cc2C(=O)O)c1
InChIInChI=1S/C16H13N3O2/c1-11-5-4-6-12(9-11)19-15(16(20)21)10-14(18-19)13-7-2-3-8-17-13/h2-10H,1H3,(H,20,21)
InChIKeyYIOAEBKQOAJSRT-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.94
Rot. Bonds3

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

1-(3-methylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid (PubChem CID 82370949) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
PubChem CID82370949
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name1-(3-methylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
SMILESCc1cccc(-n2nc(-c3ccccn3)cc2C(=O)O)c1
InChIInChI=1S/C16H13N3O2/c1-11-5-4-6-12(9-11)19-15(16(20)21)10-14(18-19)13-7-2-3-8-17-13/h2-10H,1H3,(H,20,21)
InChIKeyYIOAEBKQOAJSRT-UHFFFAOYSA-N
XLogP2.94
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 82370974
1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 82370915
1-(3-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2381730
3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 812159
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42758335
N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 3975682
3-(3,4-dimethylphenyl)-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 3934182
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168
4-methyl-2-pyridin-2-ylpyridine
CID 11019291
3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone
CID 42758347
4-methyl-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59651145

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid?
The IUPAC name of 1-(3-methylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid (CID 82370949) is 1-(3-methylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(3-methylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-(3-methylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid is Cc1cccc(-n2nc(-c3ccccn3)cc2C(=O)O)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid?
The InChIKey is YIOAEBKQOAJSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-5-4-6-12(9-11)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-methylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid?
1-(3-methylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 82370949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).