ethane;1-(2-methoxyethyl)-3,5-di(propan-2-yl)pyrazole

C16H34N2O — CID 142241156

IUPACethane;1-(2-methoxyethyl)-3,5-di(propan-2-yl)pyrazole
SMILESCC.CC.COCCn1nc(C(C)C)cc1C(C)C
InChIInChI=1S/C12H22N2O.2C2H6/c1-9(2)11-8-12(10(3)4)14(13-11)6-7-15-5;2*1-2/h8-10H,6-7H2,1-5H3;2*1-2H3
InChIKeyARKHAQDPGMCRKK-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.83
Rot. Bonds5

About ethane;1-(2-methoxyethyl)-3,5-di(propan-2-yl)pyrazole

ethane;1-(2-methoxyethyl)-3,5-di(propan-2-yl)pyrazole (PubChem CID 142241156) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is ethane;1-(2-methoxyethyl)-3,5-di(propan-2-yl)pyrazole.

Molecular Properties

Compound Nameethane;1-(2-methoxyethyl)-3,5-di(propan-2-yl)pyrazole
PubChem CID142241156
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Nameethane;1-(2-methoxyethyl)-3,5-di(propan-2-yl)pyrazole
SMILESCC.CC.COCCn1nc(C(C)C)cc1C(C)C
InChIInChI=1S/C12H22N2O.2C2H6/c1-9(2)11-8-12(10(3)4)14(13-11)6-7-15-5;2*1-2/h8-10H,6-7H2,1-5H3;2*1-2H3
InChIKeyARKHAQDPGMCRKK-UHFFFAOYSA-N
XLogP4.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methoxyethyl)-3,5-di(propan-2-yl)pyrazole?
The IUPAC name of ethane;1-(2-methoxyethyl)-3,5-di(propan-2-yl)pyrazole (CID 142241156) is ethane;1-(2-methoxyethyl)-3,5-di(propan-2-yl)pyrazole.
What is the SMILES notation for ethane;1-(2-methoxyethyl)-3,5-di(propan-2-yl)pyrazole?
The canonical SMILES for ethane;1-(2-methoxyethyl)-3,5-di(propan-2-yl)pyrazole is CC.CC.COCCn1nc(C(C)C)cc1C(C)C.
What is the InChIKey of ethane;1-(2-methoxyethyl)-3,5-di(propan-2-yl)pyrazole?
The InChIKey is ARKHAQDPGMCRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.2C2H6/c1-9(2)11-8-12(10(3)4)14(13-11)6-7-15-5;2*1-2/h8-10H,6-7H2,1-5H3;2*1-2H3.
What are the key properties of ethane;1-(2-methoxyethyl)-3,5-di(propan-2-yl)pyrazole?
ethane;1-(2-methoxyethyl)-3,5-di(propan-2-yl)pyrazole has a molecular weight of 270.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methoxyethyl)-3,5-di(propan-2-yl)pyrazole is sourced from PubChem (CID 142241156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).