1-pyrrolidin-1-yl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]propan-1-one

C18H30N4O2 — CID 71928658

IUPAC1-pyrrolidin-1-yl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]propan-1-one
SMILESCc1nn(C)c(C)c1C1OCCC1CNC(C)C(=O)N1CCCC1
InChIInChI=1S/C18H30N4O2/c1-12-16(14(3)21(4)20-12)17-15(7-10-24-17)11-19-13(2)18(23)22-8-5-6-9-22/h13,15,17,19H,5-11H2,1-4H3
InChIKeyAZLYWODPXDOEEK-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.72
Rot. Bonds5

About 1-pyrrolidin-1-yl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]propan-1-one

1-pyrrolidin-1-yl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]propan-1-one (PubChem CID 71928658) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]propan-1-one
PubChem CID71928658
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-pyrrolidin-1-yl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]propan-1-one
SMILESCc1nn(C)c(C)c1C1OCCC1CNC(C)C(=O)N1CCCC1
InChIInChI=1S/C18H30N4O2/c1-12-16(14(3)21(4)20-12)17-15(7-10-24-17)11-19-13(2)18(23)22-8-5-6-9-22/h13,15,17,19H,5-11H2,1-4H3
InChIKeyAZLYWODPXDOEEK-UHFFFAOYSA-N
XLogP1.72
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]propan-1-one (CID 71928658) is 1-pyrrolidin-1-yl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]propan-1-one is Cc1nn(C)c(C)c1C1OCCC1CNC(C)C(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]propan-1-one?
The InChIKey is AZLYWODPXDOEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-12-16(14(3)21(4)20-12)17-15(7-10-24-17)11-19-13(2)18(23)22-8-5-6-9-22/h13,15,17,19H,5-11H2,1-4H3.
What are the key properties of 1-pyrrolidin-1-yl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]propan-1-one?
1-pyrrolidin-1-yl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]propan-1-one has a molecular weight of 334.46 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]propan-1-one is sourced from PubChem (CID 71928658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).