N-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-(1H-pyrazol-1-ylmethyl)benzamide

• ChemBase ID: 423686
• Molecular Formular: C24H23N3O
• Molecular Mass: 369.45892
• Monoisotopic Mass: 369.18411237
• SMILES: C(=O)(N([C@@H](c1c2c(ccc1)cccc2)C)C)c1cc(Cn2nccc2)ccc1
• Canonical SMILES: CN([C@@H](c1cccc2c1cccc2)C)C(=O)c1cccc(c1)Cn1cccn1
• InChI: InChI=1S/C24H23N3O/c1-18(22-13-6-10-20-9-3-4-12-23(20)22)26(2)24(28)21-11-5-8-19(16-21)17-27-15-7-14-25-27/h3-16,18H,17H2,1-2H3/t18-/m1/s1
• InChIKey: MWNVHWAREAGPBO-GOSISDBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-(1H-pyrazol-1-ylmethyl)benzamide
• IUPAC Traditional name: N-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide
• Synonyms: N-methyl-N-[(1R)-1-(1-naphthyl)ethyl]-3-(1H-pyrazol-1-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.553973
• LogD (pH = 7.4): 4.554095
• Log P: 4.554096
• Molar Refractivity: 123.9274 cm^3
• Polarizability: 44.006447 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.35
• LOG S: -4.75
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 5