2-(pyrazol-1-ylmethyl)piperidine

C9H15N3 — CID 54592627

IUPAC2-(pyrazol-1-ylmethyl)piperidine
SMILESc1cnn(CC2CCCCN2)c1
InChIInChI=1S/C9H15N3/c1-2-5-10-9(4-1)8-12-7-3-6-11-12/h3,6-7,9-10H,1-2,4-5,8H2
InChIKeyATBQLWNPIRCSIQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.03
Rot. Bonds2

About 2-(pyrazol-1-ylmethyl)piperidine

2-(pyrazol-1-ylmethyl)piperidine (PubChem CID 54592627) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(pyrazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name2-(pyrazol-1-ylmethyl)piperidine
PubChem CID54592627
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-(pyrazol-1-ylmethyl)piperidine
SMILESc1cnn(CC2CCCCN2)c1
InChIInChI=1S/C9H15N3/c1-2-5-10-9(4-1)8-12-7-3-6-11-12/h3,6-7,9-10H,1-2,4-5,8H2
InChIKeyATBQLWNPIRCSIQ-UHFFFAOYSA-N
XLogP1.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(pyrazol-1-ylmethyl)piperidine 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 2-(pyrazol-1-ylmethyl)piperidine?
The IUPAC name of 2-(pyrazol-1-ylmethyl)piperidine (CID 54592627) is 2-(pyrazol-1-ylmethyl)piperidine.
What is the SMILES notation for 2-(pyrazol-1-ylmethyl)piperidine?
The canonical SMILES for 2-(pyrazol-1-ylmethyl)piperidine is c1cnn(CC2CCCCN2)c1.
What is the InChIKey of 2-(pyrazol-1-ylmethyl)piperidine?
The InChIKey is ATBQLWNPIRCSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-5-10-9(4-1)8-12-7-3-6-11-12/h3,6-7,9-10H,1-2,4-5,8H2.
What are the key properties of 2-(pyrazol-1-ylmethyl)piperidine?
2-(pyrazol-1-ylmethyl)piperidine has a molecular weight of 165.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazol-1-ylmethyl)piperidine is sourced from PubChem (CID 54592627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).