1-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperidine-4-carbonitrile

C14H22N4 — CID 129212815

IUPAC1-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperidine-4-carbonitrile
SMILESCC(C)c1cnn(CCN2CCC(C#N)CC2)c1
InChIInChI=1S/C14H22N4/c1-12(2)14-10-16-18(11-14)8-7-17-5-3-13(9-15)4-6-17/h10-13H,3-8H2,1-2H3
InChIKeyJNUYYXHFXZSRIA-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.24
Rot. Bonds4

About 1-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperidine-4-carbonitrile

1-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperidine-4-carbonitrile (PubChem CID 129212815) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperidine-4-carbonitrile
PubChem CID129212815
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperidine-4-carbonitrile
SMILESCC(C)c1cnn(CCN2CCC(C#N)CC2)c1
InChIInChI=1S/C14H22N4/c1-12(2)14-10-16-18(11-14)8-7-17-5-3-13(9-15)4-6-17/h10-13H,3-8H2,1-2H3
InChIKeyJNUYYXHFXZSRIA-UHFFFAOYSA-N
XLogP2.24
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperidine-4-carbonitrile (CID 129212815) is 1-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperidine-4-carbonitrile is CC(C)c1cnn(CCN2CCC(C#N)CC2)c1.
What is the InChIKey of 1-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperidine-4-carbonitrile?
The InChIKey is JNUYYXHFXZSRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-12(2)14-10-16-18(11-14)8-7-17-5-3-13(9-15)4-6-17/h10-13H,3-8H2,1-2H3.
What are the key properties of 1-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperidine-4-carbonitrile?
1-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperidine-4-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]piperidine-4-carbonitrile is sourced from PubChem (CID 129212815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).