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

C16H16F3N3O2 — CID 56861377

IUPAC[3-(pyrazol-1-ylmethyl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1cccc(Cn2cccn2)c1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)14-11-21(7-8-24-14)15(23)13-4-1-3-12(9-13)10-22-6-2-5-20-22/h1-6,9,14H,7-8,10-11H2
InChIKeyJMGUFWZQQXIBDV-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.33
Rot. Bonds3

About [3-(pyrazol-1-ylmethyl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone

[3-(pyrazol-1-ylmethyl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 56861377) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is [3-(pyrazol-1-ylmethyl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(pyrazol-1-ylmethyl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID56861377
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name[3-(pyrazol-1-ylmethyl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1cccc(Cn2cccn2)c1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)14-11-21(7-8-24-14)15(23)13-4-1-3-12(9-13)10-22-6-2-5-20-22/h1-6,9,14H,7-8,10-11H2
InChIKeyJMGUFWZQQXIBDV-UHFFFAOYSA-N
XLogP2.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1-Ethyl-4-pyrazolyl)methyl]-3-piperidinyl]-[3-(trifluoromethyl)phenyl]methanone
CID 44629407
[1-[(1-Propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 57399514
{1-[(2E)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenoyl]-3-piperidinyl}[3-(trifluoromethyl)phenyl]methanone
CID 16187787
{1-[(2E)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenoyl]-3-piperidinyl}[4-(trifluoromethyl)phenyl]methanone
CID 16190563
(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 52906696
1-(3'-(1-(2-Morpholinoethyl)-1H-pyrazol-3-yl)biphenyl-3-yl)ethanone
CID 29182137
Morpholin-4-yl-[5-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanone
CID 8080898
[4-[(4-Bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 35323260
{1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinyl}[3-(trifluoromethyl)phenyl]methanone
CID 45197757
4-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-2-[3-(trifluoromethyl)benzyl]morpholine
CID 45234592
(2-Methylmorpholin-4-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 45836440
(4-(2-(1H-pyrazol-1-yl)ethyl)piperazin-1-yl)(3,4-difluorophenyl)methanone
CID 47523782

Frequently Asked Questions

What is the IUPAC name of [3-(pyrazol-1-ylmethyl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of [3-(pyrazol-1-ylmethyl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone (CID 56861377) is [3-(pyrazol-1-ylmethyl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [3-(pyrazol-1-ylmethyl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for [3-(pyrazol-1-ylmethyl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone is O=C(c1cccc(Cn2cccn2)c1)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of [3-(pyrazol-1-ylmethyl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is JMGUFWZQQXIBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)14-11-21(7-8-24-14)15(23)13-4-1-3-12(9-13)10-22-6-2-5-20-22/h1-6,9,14H,7-8,10-11H2.
What are the key properties of [3-(pyrazol-1-ylmethyl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
[3-(pyrazol-1-ylmethyl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 339.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyrazol-1-ylmethyl)phenyl]-[2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56861377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).