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

• ChemBase ID: 347307
• Molecular Formular: C19H23N3O
• Molecular Mass: 309.40542
• Monoisotopic Mass: 309.18411237
• SMILES: C1(C(=O)N(C2c3c(CCC2)cccc3)C)(CC1)Cn1nccc1
• Canonical SMILES: CN(C(=O)C1(CC1)Cn1cccn1)C1CCCc2c1cccc2
• InChI: InChI=1S/C19H23N3O/c1-21(17-9-4-7-15-6-2-3-8-16(15)17)18(23)19(10-11-19)14-22-13-5-12-20-22/h2-3,5-6,8,12-13,17H,4,7,9-11,14H2,1H3
• InChIKey: XFPYPHZYJRAMDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-(1H-pyrazol-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxamide
• IUPAC Traditional name: N-methyl-1-(pyrazol-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxamide
• Synonyms: N-methyl-1-(1H-pyrazol-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1049187
• LogD (pH = 7.4): 3.1050506
• Log P: 3.1050522
• Molar Refractivity: 101.4287 cm^3
• Polarizability: 34.81616 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: 2.31
• LOG S: -3.43
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4