N-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methylpyrrolidin-2-yl)acetamide

• ChemBase ID: 694895
• Molecular Formular: C17H30N4O
• Molecular Mass: 306.4463
• Monoisotopic Mass: 306.2419616
• SMILES: c1(c(n(nc1C)C(C)C)C)CN(C(=O)CC1N(CCC1)C)C
• Canonical SMILES: CN(C(=O)CC1CCCN1C)Cc1c(C)nn(c1C)C(C)C
• InChI: InChI=1S/C17H30N4O/c1-12(2)21-14(4)16(13(3)18-21)11-20(6)17(22)10-15-8-7-9-19(15)5/h12,15H,7-11H2,1-6H3
• InChIKey: VIMXZMHDXCNUTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methylpyrrolidin-2-yl)acetamide
• IUPAC Traditional name: N-[(1-isopropyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylpyrrolidin-2-yl)acetamide
• Synonyms: N-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-(1-methylpyrrolidin-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.1228666
• LogD (pH = 7.4): -0.84854805
• Log P: 1.2677872
• Molar Refractivity: 102.0235 cm^3
• Polarizability: 34.67932 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.22
• LOG S: -2.48
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 5