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

C8H11N3 — CID 57418484

IUPAC5-pyrazol-1-yl-1,2,3,6-tetrahydropyridine
SMILESC1=C(n2cccn2)CNCC1
InChIInChI=1S/C8H11N3/c1-3-8(7-9-4-1)11-6-2-5-10-11/h2-3,5-6,9H,1,4,7H2
InChIKeyNNANAGLYEYSAAM-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.72
Rot. Bonds1

About 5-pyrazol-1-yl-1,2,3,6-tetrahydropyridine

5-pyrazol-1-yl-1,2,3,6-tetrahydropyridine (PubChem CID 57418484) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 5-pyrazol-1-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-pyrazol-1-yl-1,2,3,6-tetrahydropyridine
PubChem CID57418484
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name5-pyrazol-1-yl-1,2,3,6-tetrahydropyridine
SMILESC1=C(n2cccn2)CNCC1
InChIInChI=1S/C8H11N3/c1-3-8(7-9-4-1)11-6-2-5-10-11/h2-3,5-6,9H,1,4,7H2
InChIKeyNNANAGLYEYSAAM-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-pyrazol-1-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-pyrazol-1-yl-1,2,3,6-tetrahydropyridine (CID 57418484) is 5-pyrazol-1-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-pyrazol-1-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-pyrazol-1-yl-1,2,3,6-tetrahydropyridine is C1=C(n2cccn2)CNCC1.
What is the InChIKey of 5-pyrazol-1-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is NNANAGLYEYSAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-8(7-9-4-1)11-6-2-5-10-11/h2-3,5-6,9H,1,4,7H2.
What are the key properties of 5-pyrazol-1-yl-1,2,3,6-tetrahydropyridine?
5-pyrazol-1-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 149.20 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazol-1-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 57418484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).