3-pyrazol-1-ylpiperidine

C8H13N3 — CID 47003266

IUPAC3-pyrazol-1-ylpiperidine
SMILESc1cnn(C2CCCNC2)c1
InChIInChI=1S/C8H13N3/c1-3-8(7-9-4-1)11-6-2-5-10-11/h2,5-6,8-9H,1,3-4,7H2
InChIKeyOVEZWSXZQCHUEP-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.81
Rot. Bonds1

About 3-pyrazol-1-ylpiperidine

3-pyrazol-1-ylpiperidine (PubChem CID 47003266) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-pyrazol-1-ylpiperidine.

Molecular Properties

Compound Name3-pyrazol-1-ylpiperidine
PubChem CID47003266
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name3-pyrazol-1-ylpiperidine
SMILESc1cnn(C2CCCNC2)c1
InChIInChI=1S/C8H13N3/c1-3-8(7-9-4-1)11-6-2-5-10-11/h2,5-6,8-9H,1,3-4,7H2
InChIKeyOVEZWSXZQCHUEP-UHFFFAOYSA-N
XLogP0.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-ylpiperidine?
The IUPAC name of 3-pyrazol-1-ylpiperidine (CID 47003266) is 3-pyrazol-1-ylpiperidine.
What is the SMILES notation for 3-pyrazol-1-ylpiperidine?
The canonical SMILES for 3-pyrazol-1-ylpiperidine is c1cnn(C2CCCNC2)c1.
What is the InChIKey of 3-pyrazol-1-ylpiperidine?
The InChIKey is OVEZWSXZQCHUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-8(7-9-4-1)11-6-2-5-10-11/h2,5-6,8-9H,1,3-4,7H2.
What are the key properties of 3-pyrazol-1-ylpiperidine?
3-pyrazol-1-ylpiperidine has a molecular weight of 151.21 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-ylpiperidine is sourced from PubChem (CID 47003266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).