6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid

C16H13N3O2 — CID 106903692

IUPAC6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cn2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C16H13N3O2/c20-16(21)15-8-4-7-14(18-15)11-19-10-13(9-17-19)12-5-2-1-3-6-12/h1-10H,11H2,(H,20,21)
InChIKeyLXVLHCVMUVBNGL-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.69
Rot. Bonds4

About 6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid

6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 106903692) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID106903692
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cn2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C16H13N3O2/c20-16(21)15-8-4-7-14(18-15)11-19-10-13(9-17-19)12-5-2-1-3-6-12/h1-10H,11H2,(H,20,21)
InChIKeyLXVLHCVMUVBNGL-UHFFFAOYSA-N
XLogP2.69
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid (CID 106903692) is 6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(Cn2cc(-c3ccccc3)cn2)n1.
What is the InChIKey of 6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is LXVLHCVMUVBNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-16(21)15-8-4-7-14(18-15)11-19-10-13(9-17-19)12-5-2-1-3-6-12/h1-10H,11H2,(H,20,21).
What are the key properties of 6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).