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

C16H13N3O2 — CID 43324353

IUPAC1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid
SMILESCc1ccccc1-n1cc(C(=O)O)c(-c2cccnc2)n1
InChIInChI=1S/C16H13N3O2/c1-11-5-2-3-7-14(11)19-10-13(16(20)21)15(18-19)12-6-4-8-17-9-12/h2-10H,1H3,(H,20,21)
InChIKeyRJYLZBCZUOVBLL-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.94
Rot. Bonds3

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

1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid (PubChem CID 43324353) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid
PubChem CID43324353
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid
SMILESCc1ccccc1-n1cc(C(=O)O)c(-c2cccnc2)n1
InChIInChI=1S/C16H13N3O2/c1-11-5-2-3-7-14(11)19-10-13(16(20)21)15(18-19)12-6-4-8-17-9-12/h2-10H,1H3,(H,20,21)
InChIKeyRJYLZBCZUOVBLL-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-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde
CID 43324141
3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
CID 43531851
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
N-(2,3-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8714286
1-propyl-3-pyridin-3-ylpyrazole-4-carboxylic acid
CID 61266867
3-(4-bromothiophen-2-yl)-1-(2-methylphenyl)pyrazole-4-carboxylic acid
CID 107354898
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8712640
[(2R)-1-oxo-1-phenylpropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
CID 2440747
1-[3-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 145054336
3-methyl-2-pyridin-3-ylbenzoic acid
CID 46317094
ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
CID 51218944

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid (CID 43324353) is 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid is Cc1ccccc1-n1cc(C(=O)O)c(-c2cccnc2)n1.
What is the InChIKey of 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid?
The InChIKey is RJYLZBCZUOVBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-5-2-3-7-14(11)19-10-13(16(20)21)15(18-19)12-6-4-8-17-9-12/h2-10H,1H3,(H,20,21).
What are the key properties of 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid?
1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-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-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43324353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).