2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one

C17H28N4O3 — CID 71872756

IUPAC2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCn1cc(C2OCCC2CNC(C)C(=O)N2CCOCC2)cn1
InChIInChI=1S/C17H28N4O3/c1-3-21-12-15(11-19-21)16-14(4-7-24-16)10-18-13(2)17(22)20-5-8-23-9-6-20/h11-14,16,18H,3-10H2,1-2H3
InChIKeyPJHQZMWYMJVJLF-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.82
Rot. Bonds6

About 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one

2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 71872756) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID71872756
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCn1cc(C2OCCC2CNC(C)C(=O)N2CCOCC2)cn1
InChIInChI=1S/C17H28N4O3/c1-3-21-12-15(11-19-21)16-14(4-7-24-16)10-18-13(2)17(22)20-5-8-23-9-6-20/h11-14,16,18H,3-10H2,1-2H3
InChIKeyPJHQZMWYMJVJLF-UHFFFAOYSA-N
XLogP0.82
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one (CID 71872756) is 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one is CCn1cc(C2OCCC2CNC(C)C(=O)N2CCOCC2)cn1.
What is the InChIKey of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is PJHQZMWYMJVJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-21-12-15(11-19-21)16-14(4-7-24-16)10-18-13(2)17(22)20-5-8-23-9-6-20/h11-14,16,18H,3-10H2,1-2H3.
What are the key properties of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 336.44 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 71872756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).