1-(1-ethylcyclohexyl)pyrazole

C11H18N2 — CID 175313799

IUPAC1-(1-ethylcyclohexyl)pyrazole
SMILESCCC1(n2cccn2)CCCCC1
InChIInChI=1S/C11H18N2/c1-2-11(7-4-3-5-8-11)13-10-6-9-12-13/h6,9-10H,2-5,7-8H2,1H3
InChIKeyZHQZDOQEMWKPGE-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.95
Rot. Bonds2

About 1-(1-ethylcyclohexyl)pyrazole

1-(1-ethylcyclohexyl)pyrazole (PubChem CID 175313799) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(1-ethylcyclohexyl)pyrazole.

Molecular Properties

Compound Name1-(1-ethylcyclohexyl)pyrazole
PubChem CID175313799
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(1-ethylcyclohexyl)pyrazole
SMILESCCC1(n2cccn2)CCCCC1
InChIInChI=1S/C11H18N2/c1-2-11(7-4-3-5-8-11)13-10-6-9-12-13/h6,9-10H,2-5,7-8H2,1H3
InChIKeyZHQZDOQEMWKPGE-UHFFFAOYSA-N
XLogP2.95
TPSA17.82 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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclohexyl)pyrazole?
The IUPAC name of 1-(1-ethylcyclohexyl)pyrazole (CID 175313799) is 1-(1-ethylcyclohexyl)pyrazole.
What is the SMILES notation for 1-(1-ethylcyclohexyl)pyrazole?
The canonical SMILES for 1-(1-ethylcyclohexyl)pyrazole is CCC1(n2cccn2)CCCCC1.
What is the InChIKey of 1-(1-ethylcyclohexyl)pyrazole?
The InChIKey is ZHQZDOQEMWKPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-11(7-4-3-5-8-11)13-10-6-9-12-13/h6,9-10H,2-5,7-8H2,1H3.
What are the key properties of 1-(1-ethylcyclohexyl)pyrazole?
1-(1-ethylcyclohexyl)pyrazole has a molecular weight of 178.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclohexyl)pyrazole is sourced from PubChem (CID 175313799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).