5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1H-pyrazole

C14H20N2 — CID 10536711

IUPAC5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1H-pyrazole
SMILESCC1=CCCC(C)(C)C1/C=C/c1ccn[nH]1
InChIInChI=1S/C14H20N2/c1-11-5-4-9-14(2,3)13(11)7-6-12-8-10-15-16-12/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)/b7-6+
InChIKeyXDOKUIJGTVJMBQ-VOTSOKGWSA-N
MW216.33 g/mol
LogP3.81
Rot. Bonds2

About 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1H-pyrazole

5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1H-pyrazole (PubChem CID 10536711) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1H-pyrazole
PubChem CID10536711
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1H-pyrazole
SMILESCC1=CCCC(C)(C)C1/C=C/c1ccn[nH]1
InChIInChI=1S/C14H20N2/c1-11-5-4-9-14(2,3)13(11)7-6-12-8-10-15-16-12/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)/b7-6+
InChIKeyXDOKUIJGTVJMBQ-VOTSOKGWSA-N
XLogP3.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1H-pyrazole?
The IUPAC name of 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1H-pyrazole (CID 10536711) is 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1H-pyrazole.
What is the SMILES notation for 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1H-pyrazole?
The canonical SMILES for 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1H-pyrazole is CC1=CCCC(C)(C)C1/C=C/c1ccn[nH]1.
What is the InChIKey of 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1H-pyrazole?
The InChIKey is XDOKUIJGTVJMBQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-5-4-9-14(2,3)13(11)7-6-12-8-10-15-16-12/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)/b7-6+.
What are the key properties of 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1H-pyrazole?
5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1H-pyrazole has a molecular weight of 216.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1H-pyrazole is sourced from PubChem (CID 10536711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).