1-(2,3-dimethyl-1H-indol-1-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol

• ChemBase ID: 311515
• Molecular Formular: C18H23N3O
• Molecular Mass: 297.39472
• Monoisotopic Mass: 297.18411237
• SMILES: n1(c(c(c2c1cccc2)C)C)CC(Cn1nc(cc1C)C)O
• Canonical SMILES: OC(Cn1nc(cc1C)C)Cn1c(C)c(c2c1cccc2)C
• InChI: InChI=1S/C18H23N3O/c1-12-9-13(2)21(19-12)11-16(22)10-20-15(4)14(3)17-7-5-6-8-18(17)20/h5-9,16,22H,10-11H2,1-4H3
• InChIKey: ZHZAKMREZSLKFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dimethyl-1H-indol-1-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol
• IUPAC Traditional name: 1-(2,3-dimethylindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
• Synonyms: 1-(2,3-dimethyl-1H-indol-1-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol

Database IDs

• CAS Number: 441314-01-8
• MDL Number: MFCD02233014

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9359498
• LogD (pH = 7.4): 2.9388075
• Log P: 2.938844
• Molar Refractivity: 100.9282 cm^3
• Polarizability: 34.988533 Å^3
• Polar Surface Area: 42.98 Å^2