ethane;4-methyl-1-(oxan-2-yl)pyrazole

C11H20N2O — CID 145071415

IUPACethane;4-methyl-1-(oxan-2-yl)pyrazole
SMILESCC.Cc1cnn(C2CCCCO2)c1
InChIInChI=1S/C9H14N2O.C2H6/c1-8-6-10-11(7-8)9-4-2-3-5-12-9;1-2/h6-7,9H,2-5H2,1H3;1-2H3
InChIKeyGETXLOWCPQBBTA-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.92
Rot. Bonds1

About ethane;4-methyl-1-(oxan-2-yl)pyrazole

ethane;4-methyl-1-(oxan-2-yl)pyrazole (PubChem CID 145071415) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is ethane;4-methyl-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Nameethane;4-methyl-1-(oxan-2-yl)pyrazole
PubChem CID145071415
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Nameethane;4-methyl-1-(oxan-2-yl)pyrazole
SMILESCC.Cc1cnn(C2CCCCO2)c1
InChIInChI=1S/C9H14N2O.C2H6/c1-8-6-10-11(7-8)9-4-2-3-5-12-9;1-2/h6-7,9H,2-5H2,1H3;1-2H3
InChIKeyGETXLOWCPQBBTA-UHFFFAOYSA-N
XLogP2.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-(oxan-2-yl)pyrazole?
The IUPAC name of ethane;4-methyl-1-(oxan-2-yl)pyrazole (CID 145071415) is ethane;4-methyl-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for ethane;4-methyl-1-(oxan-2-yl)pyrazole?
The canonical SMILES for ethane;4-methyl-1-(oxan-2-yl)pyrazole is CC.Cc1cnn(C2CCCCO2)c1.
What is the InChIKey of ethane;4-methyl-1-(oxan-2-yl)pyrazole?
The InChIKey is GETXLOWCPQBBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.C2H6/c1-8-6-10-11(7-8)9-4-2-3-5-12-9;1-2/h6-7,9H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-1-(oxan-2-yl)pyrazole?
ethane;4-methyl-1-(oxan-2-yl)pyrazole has a molecular weight of 196.29 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 145071415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).