[(2R)-2-(aminomethyl)-2,3-dihydroindol-1-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone

C15H15F3N4O — CID 164641144

IUPAC[(2R)-2-(aminomethyl)-2,3-dihydroindol-1-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone
SMILESCn1ncc(C(F)(F)F)c1C(=O)N1c2ccccc2C[C@@H]1CN
InChIInChI=1S/C15H15F3N4O/c1-21-13(11(8-20-21)15(16,17)18)14(23)22-10(7-19)6-9-4-2-3-5-12(9)22/h2-5,8,10H,6-7,19H2,1H3/t10-/m1/s1
InChIKeyUNJANMBBBTXWTD-SNVBAGLBSA-N
MW324.31 g/mol
LogP1.97
Rot. Bonds2

About [(2R)-2-(aminomethyl)-2,3-dihydroindol-1-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone

[(2R)-2-(aminomethyl)-2,3-dihydroindol-1-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone (PubChem CID 164641144) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is [(2R)-2-(aminomethyl)-2,3-dihydroindol-1-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(aminomethyl)-2,3-dihydroindol-1-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone
PubChem CID164641144
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name[(2R)-2-(aminomethyl)-2,3-dihydroindol-1-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone
SMILESCn1ncc(C(F)(F)F)c1C(=O)N1c2ccccc2C[C@@H]1CN
InChIInChI=1S/C15H15F3N4O/c1-21-13(11(8-20-21)15(16,17)18)14(23)22-10(7-19)6-9-4-2-3-5-12(9)22/h2-5,8,10H,6-7,19H2,1H3/t10-/m1/s1
InChIKeyUNJANMBBBTXWTD-SNVBAGLBSA-N
XLogP1.97
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-(aminomethyl)-2,3-dihydroindol-1-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone with MolForge

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Related Compounds

[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone
CID 138011926
2,2,2-trifluoroethyl 2-methyl-2,3-dihydroindole-1-carboxylate
CID 43217740
(2-methyl-2,3-dihydroindol-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
CID 109270011
(2S)-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61206066
(3-ethylsulfanylazepan-1-yl)-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone
CID 126836009
2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid
CID 160947916
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109040701
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188614
1-[2-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylpropan-1-one
CID 165476705
[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
CID 62592985
1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 24790940
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[2-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-1,3-thiazol-4-yl]methanone
CID 168858628

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethyl)-2,3-dihydroindol-1-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone?
The IUPAC name of [(2R)-2-(aminomethyl)-2,3-dihydroindol-1-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone (CID 164641144) is [(2R)-2-(aminomethyl)-2,3-dihydroindol-1-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [(2R)-2-(aminomethyl)-2,3-dihydroindol-1-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone?
The canonical SMILES for [(2R)-2-(aminomethyl)-2,3-dihydroindol-1-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone is Cn1ncc(C(F)(F)F)c1C(=O)N1c2ccccc2C[C@@H]1CN.
What is the InChIKey of [(2R)-2-(aminomethyl)-2,3-dihydroindol-1-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone?
The InChIKey is UNJANMBBBTXWTD-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-21-13(11(8-20-21)15(16,17)18)14(23)22-10(7-19)6-9-4-2-3-5-12(9)22/h2-5,8,10H,6-7,19H2,1H3/t10-/m1/s1.
What are the key properties of [(2R)-2-(aminomethyl)-2,3-dihydroindol-1-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone?
[(2R)-2-(aminomethyl)-2,3-dihydroindol-1-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone has a molecular weight of 324.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(aminomethyl)-2,3-dihydroindol-1-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 164641144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).