[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

C14H16F3N5O2 — CID 124960689

IUPAC[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCc1cnc([C@@H]2CN(C(=O)c3cc(C(F)(F)F)n(C)n3)CCO2)[nH]1
InChIInChI=1S/C14H16F3N5O2/c1-8-6-18-12(19-8)10-7-22(3-4-24-10)13(23)9-5-11(14(15,16)17)21(2)20-9/h5-6,10H,3-4,7H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyGWHXUBIBLKRRBP-JTQLQIEISA-N
MW343.31 g/mol
LogP1.68
Rot. Bonds2

About [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (PubChem CID 124960689) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
PubChem CID124960689
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC Name[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCc1cnc([C@@H]2CN(C(=O)c3cc(C(F)(F)F)n(C)n3)CCO2)[nH]1
InChIInChI=1S/C14H16F3N5O2/c1-8-6-18-12(19-8)10-7-22(3-4-24-10)13(23)9-5-11(14(15,16)17)21(2)20-9/h5-6,10H,3-4,7H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyGWHXUBIBLKRRBP-JTQLQIEISA-N
XLogP1.68
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 125016289
6-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 155983475
[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110104959
[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 124953163
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124988304
(6-methylimidazo[1,2-a]pyridin-2-yl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105201
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 125021403
[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1-methylpiperidin-4-yl)methanone
CID 124947783
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 125010402
5-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 124954554
5-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 124954553
2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 73439823

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The IUPAC name of [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (CID 124960689) is [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is Cc1cnc([C@@H]2CN(C(=O)c3cc(C(F)(F)F)n(C)n3)CCO2)[nH]1.
What is the InChIKey of [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The InChIKey is GWHXUBIBLKRRBP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16F3N5O2/c1-8-6-18-12(19-8)10-7-22(3-4-24-10)13(23)9-5-11(14(15,16)17)21(2)20-9/h5-6,10H,3-4,7H2,1-2H3,(H,18,19)/t10-/m0/s1.
What are the key properties of [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone has a molecular weight of 343.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 124960689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).