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

C12H16F3N3O2 — CID 4769361

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H16F3N3O2/c1-8-7-10(12(13,14)15)16-18(8)9(2)11(19)17-3-5-20-6-4-17/h7,9H,3-6H2,1-2H3
InChIKeyIFYYPGIZNUXHRA-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.63
Rot. Bonds2

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

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 4769361) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID4769361
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H16F3N3O2/c1-8-7-10(12(13,14)15)16-18(8)9(2)11(19)17-3-5-20-6-4-17/h7,9H,3-6H2,1-2H3
InChIKeyIFYYPGIZNUXHRA-UHFFFAOYSA-N
XLogP1.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one (CID 4769361) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one is Cc1cc(C(F)(F)F)nn1C(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is IFYYPGIZNUXHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-8-7-10(12(13,14)15)16-18(8)9(2)11(19)17-3-5-20-6-4-17/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 291.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 4769361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).