2-[5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

C16H13N3O2 — CID 76901426

IUPAC2-[5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1cccc(-c2ccnn2-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C16H13N3O2/c1-11-3-2-4-12(9-11)14-6-8-18-19(14)15-10-13(16(20)21)5-7-17-15/h2-10H,1H3,(H,20,21)
InChIKeyQBLUFCRSMWHQNN-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.94
Rot. Bonds3

About 2-[5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 76901426) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID76901426
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-[5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1cccc(-c2ccnn2-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C16H13N3O2/c1-11-3-2-4-12(9-11)14-6-8-18-19(14)15-10-13(16(20)21)5-7-17-15/h2-10H,1H3,(H,20,21)
InChIKeyQBLUFCRSMWHQNN-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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (CID 76901426) is 2-[5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is Cc1cccc(-c2ccnn2-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-[5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is QBLUFCRSMWHQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-3-2-4-12(9-11)14-6-8-18-19(14)15-10-13(16(20)21)5-7-17-15/h2-10H,1H3,(H,20,21).
What are the key properties of 2-[5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-(3-methylphenyl)pyrazol-1-yl]pyridine-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 2-[5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 76901426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).