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

C12H11N3O2 — CID 62493956

IUPAC4-(3-cyclopropylpyrazol-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-n2ccc(C3CC3)n2)ccn1
InChIInChI=1S/C12H11N3O2/c16-12(17)11-7-9(3-5-13-11)15-6-4-10(14-15)8-1-2-8/h3-8H,1-2H2,(H,16,17)
InChIKeyCMDPIIKYLSFOSI-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.84
Rot. Bonds3

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

4-(3-cyclopropylpyrazol-1-yl)pyridine-2-carboxylic acid (PubChem CID 62493956) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-(3-cyclopropylpyrazol-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-cyclopropylpyrazol-1-yl)pyridine-2-carboxylic acid
PubChem CID62493956
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name4-(3-cyclopropylpyrazol-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-n2ccc(C3CC3)n2)ccn1
InChIInChI=1S/C12H11N3O2/c16-12(17)11-7-9(3-5-13-11)15-6-4-10(14-15)8-1-2-8/h3-8H,1-2H2,(H,16,17)
InChIKeyCMDPIIKYLSFOSI-UHFFFAOYSA-N
XLogP1.84
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpyrazol-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-cyclopropylpyrazol-1-yl)pyridine-2-carboxylic acid (CID 62493956) is 4-(3-cyclopropylpyrazol-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-cyclopropylpyrazol-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-cyclopropylpyrazol-1-yl)pyridine-2-carboxylic acid is O=C(O)c1cc(-n2ccc(C3CC3)n2)ccn1.
What is the InChIKey of 4-(3-cyclopropylpyrazol-1-yl)pyridine-2-carboxylic acid?
The InChIKey is CMDPIIKYLSFOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12(17)11-7-9(3-5-13-11)15-6-4-10(14-15)8-1-2-8/h3-8H,1-2H2,(H,16,17).
What are the key properties of 4-(3-cyclopropylpyrazol-1-yl)pyridine-2-carboxylic acid?
4-(3-cyclopropylpyrazol-1-yl)pyridine-2-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylpyrazol-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 62493956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).