2-(3-benzylpyrazol-1-yl)pyridine-4-carboxylic acid

C16H13N3O2 — CID 90205430

IUPAC2-(3-benzylpyrazol-1-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2ccc(Cc3ccccc3)n2)c1
InChIInChI=1S/C16H13N3O2/c20-16(21)13-6-8-17-15(11-13)19-9-7-14(18-19)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21)
InChIKeyUEFZTBOXYTUEQA-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.56
Rot. Bonds4

About 2-(3-benzylpyrazol-1-yl)pyridine-4-carboxylic acid

2-(3-benzylpyrazol-1-yl)pyridine-4-carboxylic acid (PubChem CID 90205430) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(3-benzylpyrazol-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-benzylpyrazol-1-yl)pyridine-4-carboxylic acid
PubChem CID90205430
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-(3-benzylpyrazol-1-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2ccc(Cc3ccccc3)n2)c1
InChIInChI=1S/C16H13N3O2/c20-16(21)13-6-8-17-15(11-13)19-9-7-14(18-19)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21)
InChIKeyUEFZTBOXYTUEQA-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylpyrazol-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3-benzylpyrazol-1-yl)pyridine-4-carboxylic acid (CID 90205430) is 2-(3-benzylpyrazol-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-benzylpyrazol-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-benzylpyrazol-1-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2ccc(Cc3ccccc3)n2)c1.
What is the InChIKey of 2-(3-benzylpyrazol-1-yl)pyridine-4-carboxylic acid?
The InChIKey is UEFZTBOXYTUEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-16(21)13-6-8-17-15(11-13)19-9-7-14(18-19)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21).
What are the key properties of 2-(3-benzylpyrazol-1-yl)pyridine-4-carboxylic acid?
2-(3-benzylpyrazol-1-yl)pyridine-4-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylpyrazol-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 90205430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).