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

C16H13N3O3 — CID 76901248

IUPAC2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1O
InChIInChI=1S/C16H13N3O3/c1-10-2-3-11(8-14(10)20)13-5-7-18-19(13)15-9-12(16(21)22)4-6-17-15/h2-9,20H,1H3,(H,21,22)
InChIKeyFJCLAYNTNLSCOL-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.65
Rot. Bonds3

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

2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 76901248) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID76901248
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1O
InChIInChI=1S/C16H13N3O3/c1-10-2-3-11(8-14(10)20)13-5-7-18-19(13)15-9-12(16(21)22)4-6-17-15/h2-9,20H,1H3,(H,21,22)
InChIKeyFJCLAYNTNLSCOL-UHFFFAOYSA-N
XLogP2.65
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (CID 76901248) is 2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is Cc1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1O.
What is the InChIKey of 2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is FJCLAYNTNLSCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-10-2-3-11(8-14(10)20)13-5-7-18-19(13)15-9-12(16(21)22)4-6-17-15/h2-9,20H,1H3,(H,21,22).
What are the key properties of 2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-hydroxy-4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 76901248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).