6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid

C16H13N3O2 — CID 4236852

IUPAC6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid
SMILESCc1ccc(-n2cc(-c3ccc(C(=O)O)cn3)cn2)cc1
InChIInChI=1S/C16H13N3O2/c1-11-2-5-14(6-3-11)19-10-13(9-18-19)15-7-4-12(8-17-15)16(20)21/h2-10H,1H3,(H,20,21)
InChIKeyPRJLDBHBHXKTAS-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.94
Rot. Bonds3

About 6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid

6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid (PubChem CID 4236852) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid
PubChem CID4236852
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid
SMILESCc1ccc(-n2cc(-c3ccc(C(=O)O)cn3)cn2)cc1
InChIInChI=1S/C16H13N3O2/c1-11-2-5-14(6-3-11)19-10-13(9-18-19)15-7-4-12(8-17-15)16(20)21/h2-10H,1H3,(H,20,21)
InChIKeyPRJLDBHBHXKTAS-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 6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid (CID 4236852) is 6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid is Cc1ccc(-n2cc(-c3ccc(C(=O)O)cn3)cn2)cc1.
What is the InChIKey of 6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid?
The InChIKey is PRJLDBHBHXKTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-2-5-14(6-3-11)19-10-13(9-18-19)15-7-4-12(8-17-15)16(20)21/h2-10H,1H3,(H,20,21).
What are the key properties of 6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid?
6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-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 6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 4236852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).