5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one

C9H10F3N3O3 — CID 56874978

IUPAC5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
SMILESO=C(c1cc(=O)[nH][nH]1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C9H10F3N3O3/c10-9(11,12)6-4-15(1-2-18-6)8(17)5-3-7(16)14-13-5/h3,6H,1-2,4H2,(H2,13,14,16)
InChIKeyFNHKVZAZPZMKQM-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.11
Rot. Bonds1

About 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one

5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one (PubChem CID 56874978) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
PubChem CID56874978
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
SMILESO=C(c1cc(=O)[nH][nH]1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C9H10F3N3O3/c10-9(11,12)6-4-15(1-2-18-6)8(17)5-3-7(16)14-13-5/h3,6H,1-2,4H2,(H2,13,14,16)
InChIKeyFNHKVZAZPZMKQM-UHFFFAOYSA-N
XLogP0.11
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2,2-difluoroethoxy)piperidine-1-carbonyl]-2-methyl-1H-pyrazol-5-one
CID 155960103
2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one
CID 22118185
5-(Morpholine-4-carbonyl)-1,2-dihydropyrazol-3-one
CID 57712978
2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one
CID 118690658
5-(2,6-Dimethylmorpholine-4-carbonyl)-1,2-dihydropyrazol-3-one
CID 108466312
N-(2-morpholin-4-ylethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513814

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one (CID 56874978) is 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one is O=C(c1cc(=O)[nH][nH]1)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one?
The InChIKey is FNHKVZAZPZMKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c10-9(11,12)6-4-15(1-2-18-6)8(17)5-3-7(16)14-13-5/h3,6H,1-2,4H2,(H2,13,14,16).
What are the key properties of 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one?
5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one has a molecular weight of 265.19 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 56874978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).