4-[1-(1H-pyrazol-4-yl)ethyl]piperidine

C10H17N3 — CID 84657149

IUPAC4-[1-(1H-pyrazol-4-yl)ethyl]piperidine
SMILESCC(c1cn[nH]c1)C1CCNCC1
InChIInChI=1S/C10H17N3/c1-8(10-6-12-13-7-10)9-2-4-11-5-3-9/h6-9,11H,2-5H2,1H3,(H,12,13)
InChIKeyHUWCGDGYAIUYKG-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.51
Rot. Bonds2

About 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine

4-[1-(1H-pyrazol-4-yl)ethyl]piperidine (PubChem CID 84657149) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[1-(1H-pyrazol-4-yl)ethyl]piperidine
PubChem CID84657149
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-[1-(1H-pyrazol-4-yl)ethyl]piperidine
SMILESCC(c1cn[nH]c1)C1CCNCC1
InChIInChI=1S/C10H17N3/c1-8(10-6-12-13-7-10)9-2-4-11-5-3-9/h6-9,11H,2-5H2,1H3,(H,12,13)
InChIKeyHUWCGDGYAIUYKG-UHFFFAOYSA-N
XLogP1.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine?
The IUPAC name of 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine (CID 84657149) is 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine.
What is the SMILES notation for 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine?
The canonical SMILES for 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine is CC(c1cn[nH]c1)C1CCNCC1.
What is the InChIKey of 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine?
The InChIKey is HUWCGDGYAIUYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(10-6-12-13-7-10)9-2-4-11-5-3-9/h6-9,11H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine?
4-[1-(1H-pyrazol-4-yl)ethyl]piperidine has a molecular weight of 179.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-pyrazol-4-yl)ethyl]piperidine is sourced from PubChem (CID 84657149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).