N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N-methyl-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide

• ChemBase ID: 865098
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: C(=O)(C(N1CCCC1)c1cnccc1)N(Cc1n[nH]c(c1)C1CC1)C
• Canonical SMILES: O=C(C(c1cccnc1)N1CCCC1)N(Cc1n[nH]c(c1)C1CC1)C
• InChI: InChI=1S/C19H25N5O/c1-23(13-16-11-17(22-21-16)14-6-7-14)19(25)18(24-9-2-3-10-24)15-5-4-8-20-12-15/h4-5,8,11-12,14,18H,2-3,6-7,9-10,13H2,1H3,(H,21,22)
• InChIKey: LGFZMJLXUGFVNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N-methyl-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N-methyl-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide
• Synonyms: N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N-methyl-2-(3-pyridinyl)-2-(1-pyrrolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.068033
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.56055456
• LogD (pH = 7.4): 0.9439476
• Log P: 1.1665764
• Molar Refractivity: 97.5512 cm^3
• Polarizability: 37.278835 Å^3
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.7
• LOG S: -0.97
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 6