5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole

C11H18N2O — CID 170965692

IUPAC5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole
SMILESCCc1cc(C)nn1C1CCOCC1
InChIInChI=1S/C11H18N2O/c1-3-10-8-9(2)12-13(10)11-4-6-14-7-5-11/h8,11H,3-7H2,1-2H3
InChIKeyNRRSPWAJYHNOEH-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.11
Rot. Bonds2

About 5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole

5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole (PubChem CID 170965692) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole.

Molecular Properties

Compound Name5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole
PubChem CID170965692
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole
SMILESCCc1cc(C)nn1C1CCOCC1
InChIInChI=1S/C11H18N2O/c1-3-10-8-9(2)12-13(10)11-4-6-14-7-5-11/h8,11H,3-7H2,1-2H3
InChIKeyNRRSPWAJYHNOEH-UHFFFAOYSA-N
XLogP2.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole?
The IUPAC name of 5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole (CID 170965692) is 5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole.
What is the SMILES notation for 5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole?
The canonical SMILES for 5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole is CCc1cc(C)nn1C1CCOCC1.
What is the InChIKey of 5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole?
The InChIKey is NRRSPWAJYHNOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-10-8-9(2)12-13(10)11-4-6-14-7-5-11/h8,11H,3-7H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole?
5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole has a molecular weight of 194.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole is sourced from PubChem (CID 170965692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).