2-(4-ethylcyclohexen-1-yl)-3,4-dihydropyrazole

C11H18N2 — CID 155216876

IUPAC2-(4-ethylcyclohexen-1-yl)-3,4-dihydropyrazole
SMILESCCC1CC=C(N2CCC=N2)CC1
InChIInChI=1S/C11H18N2/c1-2-10-4-6-11(7-5-10)13-9-3-8-12-13/h6,8,10H,2-5,7,9H2,1H3
InChIKeyCDTUJGXTPVRBFK-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.77
Rot. Bonds2

About 2-(4-ethylcyclohexen-1-yl)-3,4-dihydropyrazole

2-(4-ethylcyclohexen-1-yl)-3,4-dihydropyrazole (PubChem CID 155216876) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-(4-ethylcyclohexen-1-yl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(4-ethylcyclohexen-1-yl)-3,4-dihydropyrazole
PubChem CID155216876
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-(4-ethylcyclohexen-1-yl)-3,4-dihydropyrazole
SMILESCCC1CC=C(N2CCC=N2)CC1
InChIInChI=1S/C11H18N2/c1-2-10-4-6-11(7-5-10)13-9-3-8-12-13/h6,8,10H,2-5,7,9H2,1H3
InChIKeyCDTUJGXTPVRBFK-UHFFFAOYSA-N
XLogP2.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(Z)-N-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine
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(5E)-5-[(Z)-but-2-enylidene]-4-butyl-1-methyl-4H-pyrazole
CID 129238611
(4S,6R)-5-ethyl-1,4,6-trimethyl-6-[(E)-3-methylpent-2-enyl]-4,5-dihydropyridazine
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3-Cyclohex-2-en-1-yl-2-methyl-3,4-dihydropyrazole
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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexen-1-yl)-3,4-dihydropyrazole?
The IUPAC name of 2-(4-ethylcyclohexen-1-yl)-3,4-dihydropyrazole (CID 155216876) is 2-(4-ethylcyclohexen-1-yl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-(4-ethylcyclohexen-1-yl)-3,4-dihydropyrazole?
The canonical SMILES for 2-(4-ethylcyclohexen-1-yl)-3,4-dihydropyrazole is CCC1CC=C(N2CCC=N2)CC1.
What is the InChIKey of 2-(4-ethylcyclohexen-1-yl)-3,4-dihydropyrazole?
The InChIKey is CDTUJGXTPVRBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-10-4-6-11(7-5-10)13-9-3-8-12-13/h6,8,10H,2-5,7,9H2,1H3.
What are the key properties of 2-(4-ethylcyclohexen-1-yl)-3,4-dihydropyrazole?
2-(4-ethylcyclohexen-1-yl)-3,4-dihydropyrazole has a molecular weight of 178.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexen-1-yl)-3,4-dihydropyrazole is sourced from PubChem (CID 155216876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).