1-[4-(4-morpholinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

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Basic information

CAS: 609334-73-8
Standard SMILES: O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCOCC1
InChIKey: LJFXTTHMKFWCFR-UHFFFAOYSA-N
Molecular formula: C19H20F3N3O2
Average molar mass: 379.4 g/mol
Monoisotopic mass: 379.15076138

Names & identifiers

Preferred name: 1-[4-(4-morpholinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
IUPAC: morpholin-4-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone

Names & synonyms

1-[4-(4-morpholinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole609334-73-8MLS000662055IFLab1_005407SCHEMBL3136897CHEMBL1649658DTXSID301352354HMS1427F17HMS2594H05HMS3380N19STL230933AKOS002182521

Show more names

IDI1_010810SMR0002926894-Morpholinyl{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methanonemorpholin-4-yl{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methanonemorpholino(4-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)methanone

Database identifiers

CAS: 609334-73-8
PubChem CID: 1316629
DTXSID: DTXSID301352354
ChEMBL: CHEMBL1649658

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 47.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 27
Formal charge: 0
Complexity: 531

Experimental & physicochemical properties

LogP3.1

Related reactions

3 records

New reaction record

HRID 230683As productuspto-grants-2009_07

HRID 1547601As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1988672As productuspto-grants-2010_01

Compound notes

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