2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid

C13H15N3O2 — CID 90205218

IUPAC2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCCCCc1ccnn1-c1cc(C(=O)O)ccn1
InChIInChI=1S/C13H15N3O2/c1-2-3-4-11-6-8-15-16(11)12-9-10(13(17)18)5-7-14-12/h5-9H,2-4H2,1H3,(H,17,18)
InChIKeyYHNFXISQPODBJA-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.31
Rot. Bonds5

About 2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid

2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid (PubChem CID 90205218) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid
PubChem CID90205218
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCCCCc1ccnn1-c1cc(C(=O)O)ccn1
InChIInChI=1S/C13H15N3O2/c1-2-3-4-11-6-8-15-16(11)12-9-10(13(17)18)5-7-14-12/h5-9H,2-4H2,1H3,(H,17,18)
InChIKeyYHNFXISQPODBJA-UHFFFAOYSA-N
XLogP2.31
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid (CID 90205218) is 2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid is CCCCc1ccnn1-c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid?
The InChIKey is YHNFXISQPODBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-3-4-11-6-8-15-16(11)12-9-10(13(17)18)5-7-14-12/h5-9H,2-4H2,1H3,(H,17,18).
What are the key properties of 2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid?
2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 90205218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).