2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone

C11H10F3N3O — CID 84709123

IUPAC2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone
SMILESCNCC(=O)c1n[nH]c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C11H10F3N3O/c1-15-5-9(18)10-7-3-2-6(11(12,13)14)4-8(7)16-17-10/h2-4,15H,5H2,1H3,(H,16,17)
InChIKeyBHOIOYSBUWRFGU-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.98
Rot. Bonds3

About 2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone

2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone (PubChem CID 84709123) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone
PubChem CID84709123
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone
SMILESCNCC(=O)c1n[nH]c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C11H10F3N3O/c1-15-5-9(18)10-7-3-2-6(11(12,13)14)4-8(7)16-17-10/h2-4,15H,5H2,1H3,(H,16,17)
InChIKeyBHOIOYSBUWRFGU-UHFFFAOYSA-N
XLogP1.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1H-indazole-3-carboxamide
CID 2563801
2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone
CID 155424830
1-(1H-indazol-3-yl)ethan-1-one
CID 15684169
N-methyl-1H-indazole-3-carboxamide
CID 42477796
5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide
CID 75422753
N-(2-phenylethyl)-1H-indazole-3-carboxamide
CID 1505880
phenyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone
CID 21877271
(3-aminophenyl)-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone
CID 21877276
1-(1H-indazol-3-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
CID 90354733
N-((1S)-1-(Aminocarbonyl)-2,2-dimethylpropyl)-1H-indazole-3-carboxamide
CID 155928944
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-indazole-3-carboxamide
CID 2532324
N-[2-(4-fluorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 2557345

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone (CID 84709123) is 2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone is CNCC(=O)c1n[nH]c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone?
The InChIKey is BHOIOYSBUWRFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-15-5-9(18)10-7-3-2-6(11(12,13)14)4-8(7)16-17-10/h2-4,15H,5H2,1H3,(H,16,17).
What are the key properties of 2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone?
2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone has a molecular weight of 257.21 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone is sourced from PubChem (CID 84709123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).