6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid

C12H11N3O2 — CID 89463703

IUPAC6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cn[nH]c2C2CC2)nc1
InChIInChI=1S/C12H11N3O2/c16-12(17)8-3-4-10(13-5-8)9-6-14-15-11(9)7-1-2-7/h3-7H,1-2H2,(H,14,15)(H,16,17)
InChIKeyRLQXIACNRBNKCO-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.05
Rot. Bonds3

About 6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid

6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid (PubChem CID 89463703) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid
PubChem CID89463703
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cn[nH]c2C2CC2)nc1
InChIInChI=1S/C12H11N3O2/c16-12(17)8-3-4-10(13-5-8)9-6-14-15-11(9)7-1-2-7/h3-7H,1-2H2,(H,14,15)(H,16,17)
InChIKeyRLQXIACNRBNKCO-UHFFFAOYSA-N
XLogP2.05
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid (CID 89463703) is 6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2cn[nH]c2C2CC2)nc1.
What is the InChIKey of 6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid?
The InChIKey is RLQXIACNRBNKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12(17)8-3-4-10(13-5-8)9-6-14-15-11(9)7-1-2-7/h3-7H,1-2H2,(H,14,15)(H,16,17).
What are the key properties of 6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid?
6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 89463703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).