[(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C16H20F3N3O2 — CID 128986007

IUPAC[(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCn1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C16H20F3N3O2/c1-21-13(4-7-20-21)14-12(3-2-10-24-14)15(23)22-8-5-11(6-9-22)16(17,18)19/h4-5,7,12,14H,2-3,6,8-10H2,1H3/t12-,14-/m1/s1
InChIKeyGYWPOANBPWNRRL-TZMCWYRMSA-N
MW343.35 g/mol
LogP2.61
Rot. Bonds2

About [(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 128986007) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is [(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID128986007
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name[(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCn1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C16H20F3N3O2/c1-21-13(4-7-20-21)14-12(3-2-10-24-14)15(23)22-8-5-11(6-9-22)16(17,18)19/h4-5,7,12,14H,2-3,6,8-10H2,1H3/t12-,14-/m1/s1
InChIKeyGYWPOANBPWNRRL-TZMCWYRMSA-N
XLogP2.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanone
CID 128987514
(2R,3R)-N-(1-methylpyrazol-4-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 154738421
(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128985765
[4-(methylamino)oxolan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489818
(2R,3R)-N-(5,6-dimethylpyridazin-3-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128987419
(2R,3R)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128984992
(4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone
CID 56816540
(2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128975623
(3-amino-4-methylphenyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489206
azepan-2-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489887
(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxane-3-carboxylic acid
CID 124710177
2-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114489854

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 128986007) is [(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of [(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is GYWPOANBPWNRRL-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-21-13(4-7-20-21)14-12(3-2-10-24-14)15(23)22-8-5-11(6-9-22)16(17,18)19/h4-5,7,12,14H,2-3,6,8-10H2,1H3/t12-,14-/m1/s1.
What are the key properties of [(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 343.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 128986007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).