4-ethyl-2-(4-methylpyrazol-1-yl)cyclohexane-1-carbonitrile

C13H19N3 — CID 60872140

IUPAC4-ethyl-2-(4-methylpyrazol-1-yl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(n2cc(C)cn2)C1
InChIInChI=1S/C13H19N3/c1-3-11-4-5-12(7-14)13(6-11)16-9-10(2)8-15-16/h8-9,11-13H,3-6H2,1-2H3
InChIKeyZVCOZJWMCAGRFO-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.08
Rot. Bonds2

About 4-ethyl-2-(4-methylpyrazol-1-yl)cyclohexane-1-carbonitrile

4-ethyl-2-(4-methylpyrazol-1-yl)cyclohexane-1-carbonitrile (PubChem CID 60872140) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-ethyl-2-(4-methylpyrazol-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-(4-methylpyrazol-1-yl)cyclohexane-1-carbonitrile
PubChem CID60872140
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-ethyl-2-(4-methylpyrazol-1-yl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(n2cc(C)cn2)C1
InChIInChI=1S/C13H19N3/c1-3-11-4-5-12(7-14)13(6-11)16-9-10(2)8-15-16/h8-9,11-13H,3-6H2,1-2H3
InChIKeyZVCOZJWMCAGRFO-UHFFFAOYSA-N
XLogP3.08
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methylpyrazol-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-(4-methylpyrazol-1-yl)cyclohexane-1-carbonitrile (CID 60872140) is 4-ethyl-2-(4-methylpyrazol-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-(4-methylpyrazol-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-(4-methylpyrazol-1-yl)cyclohexane-1-carbonitrile is CCC1CCC(C#N)C(n2cc(C)cn2)C1.
What is the InChIKey of 4-ethyl-2-(4-methylpyrazol-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is ZVCOZJWMCAGRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-11-4-5-12(7-14)13(6-11)16-9-10(2)8-15-16/h8-9,11-13H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-2-(4-methylpyrazol-1-yl)cyclohexane-1-carbonitrile?
4-ethyl-2-(4-methylpyrazol-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methylpyrazol-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 60872140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).