3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine

C12H21N3 — CID 105461143

IUPAC3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine
SMILESCC(C)Cn1cc(C2CCCNC2)cn1
InChIInChI=1S/C12H21N3/c1-10(2)8-15-9-12(7-14-15)11-4-3-5-13-6-11/h7,9-11,13H,3-6,8H2,1-2H3
InChIKeyZPSAUPBRBWOMLX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.01
Rot. Bonds3

About 3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine

3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine (PubChem CID 105461143) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine
PubChem CID105461143
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine
SMILESCC(C)Cn1cc(C2CCCNC2)cn1
InChIInChI=1S/C12H21N3/c1-10(2)8-15-9-12(7-14-15)11-4-3-5-13-6-11/h7,9-11,13H,3-6,8H2,1-2H3
InChIKeyZPSAUPBRBWOMLX-UHFFFAOYSA-N
XLogP2.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine?
The IUPAC name of 3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine (CID 105461143) is 3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine.
What is the SMILES notation for 3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine?
The canonical SMILES for 3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine is CC(C)Cn1cc(C2CCCNC2)cn1.
What is the InChIKey of 3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine?
The InChIKey is ZPSAUPBRBWOMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)8-15-9-12(7-14-15)11-4-3-5-13-6-11/h7,9-11,13H,3-6,8H2,1-2H3.
What are the key properties of 3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine?
3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine is sourced from PubChem (CID 105461143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).