A1CYC

1-[(3S)-3-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one

Created:	2025-10-10
Last modified:	2025-12-10

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1 entries where A1CYC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	5

2D diagram of A1CYC

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Chemical Component Summary
Name	1-[(3S)-3-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
Systematic Name (OpenEye OEToolkits)	1-[(3~{S})-3-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
Formula	C₁₁ H₁₄ F₃ N₃ O₂
Molecular Weight	277.243
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CC1COCCN1C(=O)Cn1ccc(n1)C(F)(F)F
SMILES	CACTVS	3.385	C[CH]1COCCN1C(=O)Cn2ccc(n2)C(F)(F)F
SMILES	OpenEye OEToolkits	3.1.0.0	CC1COCCN1C(=O)Cn2ccc(n2)C(F)(F)F
Canonical SMILES	CACTVS	3.385	C[C@H]1COCCN1C(=O)Cn2ccc(n2)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	C[C@H]1COCCN1C(=O)Cn2ccc(n2)C(F)(F)F
InChI	InChI	1.06	InChI=1S/C11H14F3N3O2/c1-8-7-19-5-4-17(8)10(18)6-16-3-2-9(15-16)11(12,13)14/h2-3,8H,4-7H2,1H3/t8-/m0/s1
InChIKey	InChI	1.06	IHWVDPUKPLKKMT-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	94095763

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.