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'}

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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).