morpholin-4-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone

C19H20F3N3O2 — CID 1316629

IUPACmorpholin-4-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone
SMILESO=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCOCC1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)17-15-3-1-2-4-16(15)25(23-17)14-7-5-13(6-8-14)18(26)24-9-11-27-12-10-24/h5-8H,1-4,9-12H2
InChIKeyLJFXTTHMKFWCFR-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.24
Rot. Bonds2

About morpholin-4-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone

morpholin-4-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone (PubChem CID 1316629) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is morpholin-4-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone
PubChem CID1316629
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Namemorpholin-4-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone
SMILESO=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCOCC1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)17-15-3-1-2-4-16(15)25(23-17)14-7-5-13(6-8-14)18(26)24-9-11-27-12-10-24/h5-8H,1-4,9-12H2
InChIKeyLJFXTTHMKFWCFR-UHFFFAOYSA-N
XLogP3.24
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone (CID 1316629) is morpholin-4-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone is O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone?
The InChIKey is LJFXTTHMKFWCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)17-15-3-1-2-4-16(15)25(23-17)14-7-5-13(6-8-14)18(26)24-9-11-27-12-10-24/h5-8H,1-4,9-12H2.
What are the key properties of morpholin-4-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone?
morpholin-4-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone has a molecular weight of 379.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone is sourced from PubChem (CID 1316629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).