azetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone

C12H14F3N3O — CID 166231920

IUPACazetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone
SMILESO=C(C1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCC1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)10-8-6-7(2-3-9(8)16-17-10)11(19)18-4-1-5-18/h7H,1-6H2,(H,16,17)
InChIKeyJSIZWILFZWOKHB-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.77
Rot. Bonds1

About azetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone

azetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone (PubChem CID 166231920) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is azetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone
PubChem CID166231920
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Nameazetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone
SMILESO=C(C1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCC1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)10-8-6-7(2-3-9(8)16-17-10)11(19)18-4-1-5-18/h7H,1-6H2,(H,16,17)
InChIKeyJSIZWILFZWOKHB-UHFFFAOYSA-N
XLogP1.77
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carbonyl]-2-azaspiro[3.3]heptane-6-carboxylate
CID 155958882
N-(5-cyano-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 167958493
5-methylsulfanyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 170413493
(5S)-N-(1H-benzimidazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 124594422
pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203529
(5R)-N-[3-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 97249072
(5R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 97063567
(5S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 99617269
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl (5R)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 97260873
(5-chlorofuran-2-yl)-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 154833056
[2-(2,4-dimethylanilino)-2-oxoethyl] (5S)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 97260866
(2S)-2-(3,5-dimethylpyrazol-1-yl)-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 95621267

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone?
The IUPAC name of azetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone (CID 166231920) is azetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone?
The canonical SMILES for azetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone is O=C(C1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCC1.
What is the InChIKey of azetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone?
The InChIKey is JSIZWILFZWOKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c13-12(14,15)10-8-6-7(2-3-9(8)16-17-10)11(19)18-4-1-5-18/h7H,1-6H2,(H,16,17).
What are the key properties of azetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone?
azetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone has a molecular weight of 273.26 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]methanone is sourced from PubChem (CID 166231920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).