morpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone

C9H10F3N3O2 — CID 118526616

IUPACmorpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(N1CCOCC1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)7-5-13-15(6-7)8(16)14-1-3-17-4-2-14/h5-6H,1-4H2
InChIKeyOVJUCUNPKIQRGP-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.20
Rot. Bonds

About morpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone

morpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone (PubChem CID 118526616) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is morpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
PubChem CID118526616
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Namemorpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(N1CCOCC1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)7-5-13-15(6-7)8(16)14-1-3-17-4-2-14/h5-6H,1-4H2
InChIKeyOVJUCUNPKIQRGP-UHFFFAOYSA-N
XLogP1.20
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(1-Ethylpyrazol-4-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 75438496
1-[4-[4-(Trifluoromethyl)pyrazole-1-carbonyl]piperazin-1-yl]ethanone
CID 118526571
Tert-butyl 4-[4-(trifluoromethyl)pyrazole-1-carbonyl]piperazine-1-carboxylate
CID 118526630
(4-Methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526683
N-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide
CID 118526777
Piperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118531147
(4-Methylperoxysulfanylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 123187106
N-ethyl-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide
CID 123710663
1-[(1-Methylpyrazol-4-yl)methyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 86831465
2-(2,2,2-trifluoroethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]morpholine-4-carboxamide
CID 132300674
N-[(1-ethylpyrazol-4-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide
CID 132328788
N,N-dimethyl-4-(trifluoromethyl)pyrazole-1-carboxamide
CID 154342071

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone (CID 118526616) is morpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone is O=C(N1CCOCC1)n1cc(C(F)(F)F)cn1.
What is the InChIKey of morpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The InChIKey is OVJUCUNPKIQRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)7-5-13-15(6-7)8(16)14-1-3-17-4-2-14/h5-6H,1-4H2.
What are the key properties of morpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
morpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone has a molecular weight of 249.19 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 118526616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).