(2S)-N,N-dimethyl-5-(trimethyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

• ChemBase ID: 125950
• Molecular Formular: C18H25N3
• Molecular Mass: 283.4112
• Monoisotopic Mass: 283.20484782
• SMILES: Cc1c(c(nn1C)C)c1c2CC[C@@H](Cc2ccc1)N(C)C
• Canonical SMILES: CN([C@H]1CCc2c(C1)cccc2c1c(C)nn(c1C)C)C
• InChI: InChI=1S/C18H25N3/c1-12-18(13(2)21(5)19-12)17-8-6-7-14-11-15(20(3)4)9-10-16(14)17/h6-8,15H,9-11H2,1-5H3/t15-/m0/s1
• InChIKey: BTTOYOKCLDAHHO-HNNXBMFYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-N,N-dimethyl-5-(trimethyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: (2S)-N,N-dimethyl-5-(trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
• Synonyms: AS-19 (drug)

Database IDs

• PubChem SID: 162220293
• PubChem CID: 23642275
• Chemspider ID: 24605931
• Wikipedia Title: AS-19_(drug)

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.25302416
• LogD (pH = 7.4): 0.96619314
• Log P: 3.153545
• Molar Refractivity: 100.7173 cm^3
• Polarizability: 35.1367 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true