1-morpholin-4-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone

C14H18F3N3O2 — CID 807830

IUPAC1-morpholin-4-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCOCC1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)13-10-3-1-2-4-11(10)20(18-13)9-12(21)19-5-7-22-8-6-19/h1-9H2
InChIKeyPMJHYRTVDJPHOR-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.64
Rot. Bonds2

About 1-morpholin-4-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone

1-morpholin-4-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone (PubChem CID 807830) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
PubChem CID807830
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name1-morpholin-4-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCOCC1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)13-10-3-1-2-4-11(10)20(18-13)9-12(21)19-5-7-22-8-6-19/h1-9H2
InChIKeyPMJHYRTVDJPHOR-UHFFFAOYSA-N
XLogP1.64
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone (CID 807830) is 1-morpholin-4-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone is O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone?
The InChIKey is PMJHYRTVDJPHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c15-14(16,17)13-10-3-1-2-4-11(10)20(18-13)9-12(21)19-5-7-22-8-6-19/h1-9H2.
What are the key properties of 1-morpholin-4-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone?
1-morpholin-4-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone has a molecular weight of 317.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone is sourced from PubChem (CID 807830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).