1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile

C15H24N4 — CID 77086208

IUPAC1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1
InChIInChI=1S/C15H24N4/c1-14(2,3)13-9-12(17-18-13)10-19-7-5-15(4,11-16)6-8-19/h9H,5-8,10H2,1-4H3,(H,17,18)
InChIKeyOQULURGRLXSIGX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.83
Rot. Bonds2

About 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile

1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile (PubChem CID 77086208) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile
PubChem CID77086208
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1
InChIInChI=1S/C15H24N4/c1-14(2,3)13-9-12(17-18-13)10-19-7-5-15(4,11-16)6-8-19/h9H,5-8,10H2,1-4H3,(H,17,18)
InChIKeyOQULURGRLXSIGX-UHFFFAOYSA-N
XLogP2.83
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-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-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile (CID 77086208) is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile is CC1(C#N)CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1.
What is the InChIKey of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile?
The InChIKey is OQULURGRLXSIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-14(2,3)13-9-12(17-18-13)10-19-7-5-15(4,11-16)6-8-19/h9H,5-8,10H2,1-4H3,(H,17,18).
What are the key properties of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile?
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile has a molecular weight of 260.38 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 77086208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).