[5-ethyl-1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-morpholin-4-ylmethanone

C15H25N3O2 — CID 42669902

IUPAC[5-ethyl-1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCCc1c(C(=O)N2CCOCC2)c(CC(C)C)nn1C
InChIInChI=1S/C15H25N3O2/c1-5-13-14(12(10-11(2)3)16-17(13)4)15(19)18-6-8-20-9-7-18/h11H,5-10H2,1-4H3
InChIKeyZGZINSVACBWTCH-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.65
Rot. Bonds4

About [5-ethyl-1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-morpholin-4-ylmethanone

[5-ethyl-1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 42669902) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [5-ethyl-1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-ethyl-1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID42669902
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[5-ethyl-1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCCc1c(C(=O)N2CCOCC2)c(CC(C)C)nn1C
InChIInChI=1S/C15H25N3O2/c1-5-13-14(12(10-11(2)3)16-17(13)4)15(19)18-6-8-20-9-7-18/h11H,5-10H2,1-4H3
InChIKeyZGZINSVACBWTCH-UHFFFAOYSA-N
XLogP1.65
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-ethyl-1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-morpholin-4-ylmethanone (CID 42669902) is [5-ethyl-1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-ethyl-1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-ethyl-1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-morpholin-4-ylmethanone is CCc1c(C(=O)N2CCOCC2)c(CC(C)C)nn1C.
What is the InChIKey of [5-ethyl-1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ZGZINSVACBWTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-13-14(12(10-11(2)3)16-17(13)4)15(19)18-6-8-20-9-7-18/h11H,5-10H2,1-4H3.
What are the key properties of [5-ethyl-1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-morpholin-4-ylmethanone?
[5-ethyl-1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 279.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-methyl-3-(2-methylpropyl)pyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42669902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).