ethane;4-methyl-1-(oxan-4-yl)pyrazole;2-(3-propan-2-ylphenyl)propan-2-ol

C23H38N2O2 — CID 144973147

IUPACethane;4-methyl-1-(oxan-4-yl)pyrazole;2-(3-propan-2-ylphenyl)propan-2-ol
SMILESCC.CC(C)c1cccc(C(C)(C)O)c1.Cc1cnn(C2CCOCC2)c1
InChIInChI=1S/C12H18O.C9H14N2O.C2H6/c1-9(2)10-6-5-7-11(8-10)12(3,4)13;1-8-6-10-11(7-8)9-2-4-12-5-3-9;1-2/h5-9,13H,1-4H3;6-7,9H,2-5H2,1H3;1-2H3
InChIKeyWGOSPAMKPCAVAB-UHFFFAOYSA-N
MW374.57 g/mol
LogP5.61
Rot. Bonds3

About ethane;4-methyl-1-(oxan-4-yl)pyrazole;2-(3-propan-2-ylphenyl)propan-2-ol

ethane;4-methyl-1-(oxan-4-yl)pyrazole;2-(3-propan-2-ylphenyl)propan-2-ol (PubChem CID 144973147) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is ethane;4-methyl-1-(oxan-4-yl)pyrazole;2-(3-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Nameethane;4-methyl-1-(oxan-4-yl)pyrazole;2-(3-propan-2-ylphenyl)propan-2-ol
PubChem CID144973147
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC Nameethane;4-methyl-1-(oxan-4-yl)pyrazole;2-(3-propan-2-ylphenyl)propan-2-ol
SMILESCC.CC(C)c1cccc(C(C)(C)O)c1.Cc1cnn(C2CCOCC2)c1
InChIInChI=1S/C12H18O.C9H14N2O.C2H6/c1-9(2)10-6-5-7-11(8-10)12(3,4)13;1-8-6-10-11(7-8)9-2-4-12-5-3-9;1-2/h5-9,13H,1-4H3;6-7,9H,2-5H2,1H3;1-2H3
InChIKeyWGOSPAMKPCAVAB-UHFFFAOYSA-N
XLogP5.61
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-(oxan-4-yl)pyrazole;2-(3-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of ethane;4-methyl-1-(oxan-4-yl)pyrazole;2-(3-propan-2-ylphenyl)propan-2-ol (CID 144973147) is ethane;4-methyl-1-(oxan-4-yl)pyrazole;2-(3-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for ethane;4-methyl-1-(oxan-4-yl)pyrazole;2-(3-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for ethane;4-methyl-1-(oxan-4-yl)pyrazole;2-(3-propan-2-ylphenyl)propan-2-ol is CC.CC(C)c1cccc(C(C)(C)O)c1.Cc1cnn(C2CCOCC2)c1.
What is the InChIKey of ethane;4-methyl-1-(oxan-4-yl)pyrazole;2-(3-propan-2-ylphenyl)propan-2-ol?
The InChIKey is WGOSPAMKPCAVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C9H14N2O.C2H6/c1-9(2)10-6-5-7-11(8-10)12(3,4)13;1-8-6-10-11(7-8)9-2-4-12-5-3-9;1-2/h5-9,13H,1-4H3;6-7,9H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-1-(oxan-4-yl)pyrazole;2-(3-propan-2-ylphenyl)propan-2-ol?
ethane;4-methyl-1-(oxan-4-yl)pyrazole;2-(3-propan-2-ylphenyl)propan-2-ol has a molecular weight of 374.57 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(oxan-4-yl)pyrazole;2-(3-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 144973147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).