1,2-diethyl-5-methylpyrazol-3-one;ethane;propane

C13H28N2O — CID 143918810

IUPAC1,2-diethyl-5-methylpyrazol-3-one;ethane;propane
SMILESCC.CCC.CCn1c(C)cc(=O)n1CC
InChIInChI=1S/C8H14N2O.C3H8.C2H6/c1-4-9-7(3)6-8(11)10(9)5-2;1-3-2;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyDOYMQPUTOMBEGQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.44
Rot. Bonds2

About 1,2-diethyl-5-methylpyrazol-3-one;ethane;propane

1,2-diethyl-5-methylpyrazol-3-one;ethane;propane (PubChem CID 143918810) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,2-diethyl-5-methylpyrazol-3-one;ethane;propane.

Molecular Properties

Compound Name1,2-diethyl-5-methylpyrazol-3-one;ethane;propane
PubChem CID143918810
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1,2-diethyl-5-methylpyrazol-3-one;ethane;propane
SMILESCC.CCC.CCn1c(C)cc(=O)n1CC
InChIInChI=1S/C8H14N2O.C3H8.C2H6/c1-4-9-7(3)6-8(11)10(9)5-2;1-3-2;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyDOYMQPUTOMBEGQ-UHFFFAOYSA-N
XLogP3.44
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-5-methylpyrazol-3-one;ethane;propane?
The IUPAC name of 1,2-diethyl-5-methylpyrazol-3-one;ethane;propane (CID 143918810) is 1,2-diethyl-5-methylpyrazol-3-one;ethane;propane.
What is the SMILES notation for 1,2-diethyl-5-methylpyrazol-3-one;ethane;propane?
The canonical SMILES for 1,2-diethyl-5-methylpyrazol-3-one;ethane;propane is CC.CCC.CCn1c(C)cc(=O)n1CC.
What is the InChIKey of 1,2-diethyl-5-methylpyrazol-3-one;ethane;propane?
The InChIKey is DOYMQPUTOMBEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.C3H8.C2H6/c1-4-9-7(3)6-8(11)10(9)5-2;1-3-2;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of 1,2-diethyl-5-methylpyrazol-3-one;ethane;propane?
1,2-diethyl-5-methylpyrazol-3-one;ethane;propane has a molecular weight of 228.38 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-5-methylpyrazol-3-one;ethane;propane is sourced from PubChem (CID 143918810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).