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

C17H15N3O3 — CID 130252074

IUPAC2-[5-(3-hydroxy-4-methylphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2c(C)cnn2-c2cc(C(=O)O)ccn2)cc1O
InChIInChI=1S/C17H15N3O3/c1-10-3-4-12(7-14(10)21)16-11(2)9-19-20(16)15-8-13(17(22)23)5-6-18-15/h3-9,21H,1-2H3,(H,22,23)
InChIKeyJYQYTROPFWQISQ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.95
Rot. Bonds3

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

2-[5-(3-hydroxy-4-methylphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 130252074) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[5-(3-hydroxy-4-methylphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(3-hydroxy-4-methylphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID130252074
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-[5-(3-hydroxy-4-methylphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2c(C)cnn2-c2cc(C(=O)O)ccn2)cc1O
InChIInChI=1S/C17H15N3O3/c1-10-3-4-12(7-14(10)21)16-11(2)9-19-20(16)15-8-13(17(22)23)5-6-18-15/h3-9,21H,1-2H3,(H,22,23)
InChIKeyJYQYTROPFWQISQ-UHFFFAOYSA-N
XLogP2.95
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.95
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)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(3-hydroxy-4-methylphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid (CID 130252074) is 2-[5-(3-hydroxy-4-methylphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(3-hydroxy-4-methylphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(3-hydroxy-4-methylphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid is Cc1ccc(-c2c(C)cnn2-c2cc(C(=O)O)ccn2)cc1O.
What is the InChIKey of 2-[5-(3-hydroxy-4-methylphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is JYQYTROPFWQISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-3-4-12(7-14(10)21)16-11(2)9-19-20(16)15-8-13(17(22)23)5-6-18-15/h3-9,21H,1-2H3,(H,22,23).
What are the key properties of 2-[5-(3-hydroxy-4-methylphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-(3-hydroxy-4-methylphenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.95, 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)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 130252074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).