5-(4-ethyloxan-2-yl)-1-methylpyrazole

C11H18N2O — CID 174052867

IUPAC5-(4-ethyloxan-2-yl)-1-methylpyrazole
SMILESCCC1CCOC(c2ccnn2C)C1
InChIInChI=1S/C11H18N2O/c1-3-9-5-7-14-11(8-9)10-4-6-12-13(10)2/h4,6,9,11H,3,5,7-8H2,1-2H3
InChIKeyMMWHXLLLYRICAA-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.30
Rot. Bonds2

About 5-(4-ethyloxan-2-yl)-1-methylpyrazole

5-(4-ethyloxan-2-yl)-1-methylpyrazole (PubChem CID 174052867) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-(4-ethyloxan-2-yl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(4-ethyloxan-2-yl)-1-methylpyrazole
PubChem CID174052867
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-(4-ethyloxan-2-yl)-1-methylpyrazole
SMILESCCC1CCOC(c2ccnn2C)C1
InChIInChI=1S/C11H18N2O/c1-3-9-5-7-14-11(8-9)10-4-6-12-13(10)2/h4,6,9,11H,3,5,7-8H2,1-2H3
InChIKeyMMWHXLLLYRICAA-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyloxan-2-yl)-1-methylpyrazole?
The IUPAC name of 5-(4-ethyloxan-2-yl)-1-methylpyrazole (CID 174052867) is 5-(4-ethyloxan-2-yl)-1-methylpyrazole.
What is the SMILES notation for 5-(4-ethyloxan-2-yl)-1-methylpyrazole?
The canonical SMILES for 5-(4-ethyloxan-2-yl)-1-methylpyrazole is CCC1CCOC(c2ccnn2C)C1.
What is the InChIKey of 5-(4-ethyloxan-2-yl)-1-methylpyrazole?
The InChIKey is MMWHXLLLYRICAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-9-5-7-14-11(8-9)10-4-6-12-13(10)2/h4,6,9,11H,3,5,7-8H2,1-2H3.
What are the key properties of 5-(4-ethyloxan-2-yl)-1-methylpyrazole?
5-(4-ethyloxan-2-yl)-1-methylpyrazole has a molecular weight of 194.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyloxan-2-yl)-1-methylpyrazole is sourced from PubChem (CID 174052867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).