4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine

C12H19N3 — CID 122240934

IUPAC4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine
SMILESC=C(C)Cn1cc(C2CCNCC2)cn1
InChIInChI=1S/C12H19N3/c1-10(2)8-15-9-12(7-14-15)11-3-5-13-6-4-11/h7,9,11,13H,1,3-6,8H2,2H3
InChIKeyQZSJILMOBQJYTR-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.93
Rot. Bonds3

About 4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine

4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine (PubChem CID 122240934) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine
PubChem CID122240934
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine
SMILESC=C(C)Cn1cc(C2CCNCC2)cn1
InChIInChI=1S/C12H19N3/c1-10(2)8-15-9-12(7-14-15)11-3-5-13-6-4-11/h7,9,11,13H,1,3-6,8H2,2H3
InChIKeyQZSJILMOBQJYTR-UHFFFAOYSA-N
XLogP1.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.93
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 4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine?
The IUPAC name of 4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine (CID 122240934) is 4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine.
What is the SMILES notation for 4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine?
The canonical SMILES for 4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine is C=C(C)Cn1cc(C2CCNCC2)cn1.
What is the InChIKey of 4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine?
The InChIKey is QZSJILMOBQJYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(2)8-15-9-12(7-14-15)11-3-5-13-6-4-11/h7,9,11,13H,1,3-6,8H2,2H3.
What are the key properties of 4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine?
4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine has a molecular weight of 205.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine is sourced from PubChem (CID 122240934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).