N-methyl-3-(1H-pyrazol-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

• ChemBase ID: 531693
• Molecular Formular: C22H23N3O
• Molecular Mass: 345.43752
• Monoisotopic Mass: 345.18411237
• SMILES: C(=O)(N(C1c2c(CCC1)cccc2)C)c1cc(Cn2nccc2)ccc1
• Canonical SMILES: CN(C1CCCc2c1cccc2)C(=O)c1cccc(c1)Cn1cccn1
• InChI: InChI=1S/C22H23N3O/c1-24(21-12-5-9-18-8-2-3-11-20(18)21)22(26)19-10-4-7-17(15-19)16-25-14-6-13-23-25/h2-4,6-8,10-11,13-15,21H,5,9,12,16H2,1H3
• InChIKey: UMEXMSPHCHJCAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(1H-pyrazol-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
• IUPAC Traditional name: N-methyl-3-(pyrazol-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
• Synonyms: N-methyl-3-(1H-pyrazol-1-ylmethyl)-N-(1,2,3,4-tetrahydro-1-naphthalenyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.136714
• LogD (pH = 7.4): 4.136836
• Log P: 4.1368375
• Molar Refractivity: 115.2402 cm^3
• Polarizability: 39.32192 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.79
• LOG S: -4.1
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4