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

C16H16F3N3O2 — CID 75501601

IUPAC(1-methylpyrazol-4-yl)-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESCn1cc(C(=O)N2CCOC(c3ccccc3C(F)(F)F)C2)cn1
InChIInChI=1S/C16H16F3N3O2/c1-21-9-11(8-20-21)15(23)22-6-7-24-14(10-22)12-4-2-3-5-13(12)16(17,18)19/h2-5,8-9,14H,6-7,10H2,1H3
InChIKeyRMVLYIXLRKBJCI-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.65
Rot. Bonds2

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

(1-methylpyrazol-4-yl)-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (PubChem CID 75501601) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
PubChem CID75501601
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name(1-methylpyrazol-4-yl)-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESCn1cc(C(=O)N2CCOC(c3ccccc3C(F)(F)F)C2)cn1
InChIInChI=1S/C16H16F3N3O2/c1-21-9-11(8-20-21)15(23)22-6-7-24-14(10-22)12-4-2-3-5-13(12)16(17,18)19/h2-5,8-9,14H,6-7,10H2,1H3
InChIKeyRMVLYIXLRKBJCI-UHFFFAOYSA-N
XLogP2.65
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one
CID 136522206
oxolan-3-yl-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 86786762
[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110097811
[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110104959
[2-(2-fluorophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 84510735
(1-methylpyrazol-4-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 172899991
[2-(4-methylphenyl)morpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121134814
[(2R)-2-(2-bromophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124571795
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 97134508
4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide
CID 79674149
[2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 81424177
5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183971

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (CID 75501601) is (1-methylpyrazol-4-yl)-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is Cn1cc(C(=O)N2CCOC(c3ccccc3C(F)(F)F)C2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The InChIKey is RMVLYIXLRKBJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-21-9-11(8-20-21)15(23)22-6-7-24-14(10-22)12-4-2-3-5-13(12)16(17,18)19/h2-5,8-9,14H,6-7,10H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
(1-methylpyrazol-4-yl)-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone has a molecular weight of 339.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 75501601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).