3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one

C15H20F3N3O2 — CID 56868121

IUPAC3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCc1n[nH]c2c1CCCC2)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)13-9-21(7-8-23-13)14(22)6-5-12-10-3-1-2-4-11(10)19-20-12/h13H,1-9H2,(H,19,20)
InChIKeyLYPAGYMQUZZJAS-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.01
Rot. Bonds3

About 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one

3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one (PubChem CID 56868121) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one
PubChem CID56868121
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCc1n[nH]c2c1CCCC2)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)13-9-21(7-8-23-13)14(22)6-5-12-10-3-1-2-4-11(10)19-20-12/h13H,1-9H2,(H,19,20)
InChIKeyLYPAGYMQUZZJAS-UHFFFAOYSA-N
XLogP2.01
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one (CID 56868121) is 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one is O=C(CCc1n[nH]c2c1CCCC2)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one?
The InChIKey is LYPAGYMQUZZJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c16-15(17,18)13-9-21(7-8-23-13)14(22)6-5-12-10-3-1-2-4-11(10)19-20-12/h13H,1-9H2,(H,19,20).
What are the key properties of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one?
3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one has a molecular weight of 331.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 56868121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).