1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine

C16H25N3 — CID 166293926

IUPAC1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCC(C)c1cc(C2CCCN(C3CC=CC3)C2)[nH]n1
InChIInChI=1S/C16H25N3/c1-12(2)15-10-16(18-17-15)13-6-5-9-19(11-13)14-7-3-4-8-14/h3-4,10,12-14H,5-9,11H2,1-2H3,(H,17,18)
InChIKeyZSDASJWQCDJDPP-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.43
Rot. Bonds3

About 1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine

1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 166293926) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
PubChem CID166293926
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCC(C)c1cc(C2CCCN(C3CC=CC3)C2)[nH]n1
InChIInChI=1S/C16H25N3/c1-12(2)15-10-16(18-17-15)13-6-5-9-19(11-13)14-7-3-4-8-14/h3-4,10,12-14H,5-9,11H2,1-2H3,(H,17,18)
InChIKeyZSDASJWQCDJDPP-UHFFFAOYSA-N
XLogP3.43
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine (CID 166293926) is 1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine is CC(C)c1cc(C2CCCN(C3CC=CC3)C2)[nH]n1.
What is the InChIKey of 1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is ZSDASJWQCDJDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12(2)15-10-16(18-17-15)13-6-5-9-19(11-13)14-7-3-4-8-14/h3-4,10,12-14H,5-9,11H2,1-2H3,(H,17,18).
What are the key properties of 1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine has a molecular weight of 259.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 166293926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).