ethane;1-propan-2-yl-4-pyrazol-1-ylpiperidine

C13H25N3 — CID 156829114

IUPACethane;1-propan-2-yl-4-pyrazol-1-ylpiperidine
SMILESCC.CC(C)N1CCC(n2cccn2)CC1
InChIInChI=1S/C11H19N3.C2H6/c1-10(2)13-8-4-11(5-9-13)14-7-3-6-12-14;1-2/h3,6-7,10-11H,4-5,8-9H2,1-2H3;1-2H3
InChIKeyQUOBBAYETMARHL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.95
Rot. Bonds2

About ethane;1-propan-2-yl-4-pyrazol-1-ylpiperidine

ethane;1-propan-2-yl-4-pyrazol-1-ylpiperidine (PubChem CID 156829114) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;1-propan-2-yl-4-pyrazol-1-ylpiperidine.

Molecular Properties

Compound Nameethane;1-propan-2-yl-4-pyrazol-1-ylpiperidine
PubChem CID156829114
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Nameethane;1-propan-2-yl-4-pyrazol-1-ylpiperidine
SMILESCC.CC(C)N1CCC(n2cccn2)CC1
InChIInChI=1S/C11H19N3.C2H6/c1-10(2)13-8-4-11(5-9-13)14-7-3-6-12-14;1-2/h3,6-7,10-11H,4-5,8-9H2,1-2H3;1-2H3
InChIKeyQUOBBAYETMARHL-UHFFFAOYSA-N
XLogP2.95
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-yl-4-pyrazol-1-ylpiperidine?
The IUPAC name of ethane;1-propan-2-yl-4-pyrazol-1-ylpiperidine (CID 156829114) is ethane;1-propan-2-yl-4-pyrazol-1-ylpiperidine.
What is the SMILES notation for ethane;1-propan-2-yl-4-pyrazol-1-ylpiperidine?
The canonical SMILES for ethane;1-propan-2-yl-4-pyrazol-1-ylpiperidine is CC.CC(C)N1CCC(n2cccn2)CC1.
What is the InChIKey of ethane;1-propan-2-yl-4-pyrazol-1-ylpiperidine?
The InChIKey is QUOBBAYETMARHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.C2H6/c1-10(2)13-8-4-11(5-9-13)14-7-3-6-12-14;1-2/h3,6-7,10-11H,4-5,8-9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-propan-2-yl-4-pyrazol-1-ylpiperidine?
ethane;1-propan-2-yl-4-pyrazol-1-ylpiperidine has a molecular weight of 223.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-yl-4-pyrazol-1-ylpiperidine is sourced from PubChem (CID 156829114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).