3-butyl-2-pyrazol-1-ylpyridine

C12H15N3 — CID 174933178

IUPAC3-butyl-2-pyrazol-1-ylpyridine
SMILESCCCCc1cccnc1-n1cccn1
InChIInChI=1S/C12H15N3/c1-2-3-6-11-7-4-8-13-12(11)15-10-5-9-14-15/h4-5,7-10H,2-3,6H2,1H3
InChIKeyNFRLUVQIIPWNTJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.61
Rot. Bonds4

About 3-butyl-2-pyrazol-1-ylpyridine

3-butyl-2-pyrazol-1-ylpyridine (PubChem CID 174933178) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-butyl-2-pyrazol-1-ylpyridine.

Molecular Properties

Compound Name3-butyl-2-pyrazol-1-ylpyridine
PubChem CID174933178
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-butyl-2-pyrazol-1-ylpyridine
SMILESCCCCc1cccnc1-n1cccn1
InChIInChI=1S/C12H15N3/c1-2-3-6-11-7-4-8-13-12(11)15-10-5-9-14-15/h4-5,7-10H,2-3,6H2,1H3
InChIKeyNFRLUVQIIPWNTJ-UHFFFAOYSA-N
XLogP2.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-butyl-2-pyrazol-1-ylpyridine 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 3-butyl-2-pyrazol-1-ylpyridine?
The IUPAC name of 3-butyl-2-pyrazol-1-ylpyridine (CID 174933178) is 3-butyl-2-pyrazol-1-ylpyridine.
What is the SMILES notation for 3-butyl-2-pyrazol-1-ylpyridine?
The canonical SMILES for 3-butyl-2-pyrazol-1-ylpyridine is CCCCc1cccnc1-n1cccn1.
What is the InChIKey of 3-butyl-2-pyrazol-1-ylpyridine?
The InChIKey is NFRLUVQIIPWNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-3-6-11-7-4-8-13-12(11)15-10-5-9-14-15/h4-5,7-10H,2-3,6H2,1H3.
What are the key properties of 3-butyl-2-pyrazol-1-ylpyridine?
3-butyl-2-pyrazol-1-ylpyridine has a molecular weight of 201.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-pyrazol-1-ylpyridine is sourced from PubChem (CID 174933178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).