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

C17H28N4O2 — CID 71928578

IUPAC2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCn1cc(C2OCCC2CNC(C)C(=O)N2CCCC2)cn1
InChIInChI=1S/C17H28N4O2/c1-3-21-12-15(11-19-21)16-14(6-9-23-16)10-18-13(2)17(22)20-7-4-5-8-20/h11-14,16,18H,3-10H2,1-2H3
InChIKeyIIZNWQKOZLYTRN-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.58
Rot. Bonds6

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

2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 71928578) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID71928578
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCn1cc(C2OCCC2CNC(C)C(=O)N2CCCC2)cn1
InChIInChI=1S/C17H28N4O2/c1-3-21-12-15(11-19-21)16-14(6-9-23-16)10-18-13(2)17(22)20-7-4-5-8-20/h11-14,16,18H,3-10H2,1-2H3
InChIKeyIIZNWQKOZLYTRN-UHFFFAOYSA-N
XLogP1.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 71928578) is 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-pyrrolidin-1-ylpropan-1-one is CCn1cc(C2OCCC2CNC(C)C(=O)N2CCCC2)cn1.
What is the InChIKey of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is IIZNWQKOZLYTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-21-12-15(11-19-21)16-14(6-9-23-16)10-18-13(2)17(22)20-7-4-5-8-20/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-pyrrolidin-1-ylpropan-1-one?
2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 320.44 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 71928578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).