[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone

C22H20F3N3O2 — CID 155946961

IUPAC[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CCOC(Cn2cccn2)C1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)17-8-6-16(7-9-17)19-4-1-2-5-20(19)21(29)27-12-13-30-18(14-27)15-28-11-3-10-26-28/h1-11,18H,12-15H2
InChIKeyNRAOFGRHKIRPED-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.11
Rot. Bonds4

About [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone

[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 155946961) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
PubChem CID155946961
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CCOC(Cn2cccn2)C1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)17-8-6-16(7-9-17)19-4-1-2-5-20(19)21(29)27-12-13-30-18(14-27)15-28-11-3-10-26-28/h1-11,18H,12-15H2
InChIKeyNRAOFGRHKIRPED-UHFFFAOYSA-N
XLogP4.11
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 111560971
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 124612845
(3-aminophenyl)-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone;dihydrochloride
CID 119881009
4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carbonyl]-2H-phthalazin-1-one
CID 77098456
2-(3,4-difluorophenoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
CID 138026114
4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122021186
[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 39998594
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone;hydrochloride
CID 119636698
[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119881013
(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 126442055
[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90313535
4-fluoro-3-[2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carbonyl]benzenesulfonamide
CID 72838567

Frequently Asked Questions

What is the IUPAC name of [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The IUPAC name of [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (CID 155946961) is [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.
What is the SMILES notation for [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The canonical SMILES for [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CCOC(Cn2cccn2)C1.
What is the InChIKey of [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The InChIKey is NRAOFGRHKIRPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)17-8-6-16(7-9-17)19-4-1-2-5-20(19)21(29)27-12-13-30-18(14-27)15-28-11-3-10-26-28/h1-11,18H,12-15H2.
What are the key properties of [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone has a molecular weight of 415.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyrazol-1-ylmethyl)morpholin-4-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 155946961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).