3-cyclopropyl-5-ethyl-1-(oxan-2-yl)pyrazole

C13H20N2O — CID 142624845

IUPAC3-cyclopropyl-5-ethyl-1-(oxan-2-yl)pyrazole
SMILESCCc1cc(C2CC2)nn1C1CCCCO1
InChIInChI=1S/C13H20N2O/c1-2-11-9-12(10-6-7-10)14-15(11)13-5-3-4-8-16-13/h9-10,13H,2-8H2,1H3
InChIKeyIAASQVGNYNUJET-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.02
Rot. Bonds3

About 3-cyclopropyl-5-ethyl-1-(oxan-2-yl)pyrazole

3-cyclopropyl-5-ethyl-1-(oxan-2-yl)pyrazole (PubChem CID 142624845) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-cyclopropyl-5-ethyl-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-5-ethyl-1-(oxan-2-yl)pyrazole
PubChem CID142624845
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-cyclopropyl-5-ethyl-1-(oxan-2-yl)pyrazole
SMILESCCc1cc(C2CC2)nn1C1CCCCO1
InChIInChI=1S/C13H20N2O/c1-2-11-9-12(10-6-7-10)14-15(11)13-5-3-4-8-16-13/h9-10,13H,2-8H2,1H3
InChIKeyIAASQVGNYNUJET-UHFFFAOYSA-N
XLogP3.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-ethyl-1-(oxan-2-yl)pyrazole?
The IUPAC name of 3-cyclopropyl-5-ethyl-1-(oxan-2-yl)pyrazole (CID 142624845) is 3-cyclopropyl-5-ethyl-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 3-cyclopropyl-5-ethyl-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 3-cyclopropyl-5-ethyl-1-(oxan-2-yl)pyrazole is CCc1cc(C2CC2)nn1C1CCCCO1.
What is the InChIKey of 3-cyclopropyl-5-ethyl-1-(oxan-2-yl)pyrazole?
The InChIKey is IAASQVGNYNUJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-11-9-12(10-6-7-10)14-15(11)13-5-3-4-8-16-13/h9-10,13H,2-8H2,1H3.
What are the key properties of 3-cyclopropyl-5-ethyl-1-(oxan-2-yl)pyrazole?
3-cyclopropyl-5-ethyl-1-(oxan-2-yl)pyrazole has a molecular weight of 220.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-ethyl-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 142624845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).