3,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one

C15H21F3N4O2 — CID 1485611

IUPAC3,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one
SMILESCn1nc(C(F)(F)F)c(CN2CC(C)(C)C2=O)c1N1CCOCC1
InChIInChI=1S/C15H21F3N4O2/c1-14(2)9-22(13(14)23)8-10-11(15(16,17)18)19-20(3)12(10)21-4-6-24-7-5-21/h4-9H2,1-3H3
InChIKeyGFJKPQMXELBNIV-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.64
Rot. Bonds3

About 3,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one

3,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one (PubChem CID 1485611) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 3,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one
PubChem CID1485611
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name3,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one
SMILESCn1nc(C(F)(F)F)c(CN2CC(C)(C)C2=O)c1N1CCOCC1
InChIInChI=1S/C15H21F3N4O2/c1-14(2)9-22(13(14)23)8-10-11(15(16,17)18)19-20(3)12(10)21-4-6-24-7-5-21/h4-9H2,1-3H3
InChIKeyGFJKPQMXELBNIV-UHFFFAOYSA-N
XLogP1.64
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one?
The IUPAC name of 3,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one (CID 1485611) is 3,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one?
The canonical SMILES for 3,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one is Cn1nc(C(F)(F)F)c(CN2CC(C)(C)C2=O)c1N1CCOCC1.
What is the InChIKey of 3,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one?
The InChIKey is GFJKPQMXELBNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-14(2)9-22(13(14)23)8-10-11(15(16,17)18)19-20(3)12(10)21-4-6-24-7-5-21/h4-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one?
3,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one has a molecular weight of 346.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one is sourced from PubChem (CID 1485611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).