2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine

C8H11N3 — CID 5252317

IUPAC2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine
SMILESC1=CCC(n2cccn2)NC1
InChIInChI=1S/C8H11N3/c1-2-5-9-8(4-1)11-7-3-6-10-11/h1-3,6-9H,4-5H2
InChIKeyLYRBLVLMGFMBPG-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.93
Rot. Bonds1

About 2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine

2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine (PubChem CID 5252317) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine
PubChem CID5252317
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine
SMILESC1=CCC(n2cccn2)NC1
InChIInChI=1S/C8H11N3/c1-2-5-9-8(4-1)11-7-3-6-10-11/h1-3,6-9H,4-5H2
InChIKeyLYRBLVLMGFMBPG-UHFFFAOYSA-N
XLogP0.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Pyrrolidin-2-yl)-1h-pyrazole
CID 18988375
N-aminomethyl pyrazole
CID 22639496
2-(1H-Pyrazol-1-yl)piperidine
CID 83409072
1-Pyrazol-1-ylethanamine
CID 17791084
1-ethyl-2-pyrazol-1-yl-2H-pyridine
CID 18174949
Pyrazol-1-ylmethanediamine
CID 22946324
1-pyrazol-1-yl-N-(pyrazol-1-ylmethyl)methanamine
CID 23295373
2-Pyrazol-1-ylpiperazine
CID 54044245
(1H-pyrazol-1-yl)methanediamine hydrochloride
CID 55285438
1-Pent-3-enylpyrazole
CID 57128861
5-Pyrazol-1-yl-1,2,3,6-tetrahydropyridine
CID 57418484
N'-methyl-1-pyrazol-1-ylmethanediamine
CID 58185820

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine (CID 5252317) is 2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine is C1=CCC(n2cccn2)NC1.
What is the InChIKey of 2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is LYRBLVLMGFMBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-5-9-8(4-1)11-7-3-6-10-11/h1-3,6-9H,4-5H2.
What are the key properties of 2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine?
2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 149.20 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 5252317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).