N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide

• ChemBase ID: 365195
• Molecular Formular: C16H25N5O
• Molecular Mass: 303.4026
• Monoisotopic Mass: 303.20591045
• SMILES: n1(nc(cc1C)C)C(CNC(=O)CCc1n[nH]c(c1C)C)C
• Canonical SMILES: O=C(NCC(n1nc(cc1C)C)C)CCc1n[nH]c(c1C)C
• InChI: InChI=1S/C16H25N5O/c1-10-8-11(2)21(20-10)12(3)9-17-16(22)7-6-15-13(4)14(5)18-19-15/h8,12H,6-7,9H2,1-5H3,(H,17,22)(H,18,19)
• InChIKey: PHPMGFIYLPJWKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
• IUPAC Traditional name: 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
• Synonyms: 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.344958
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3374386
• LogD (pH = 7.4): 1.3404281
• Log P: 1.3404664
• Molar Refractivity: 99.2924 cm^3
• Polarizability: 32.851864 Å^3
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.62
• LOG S: -2.8
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 6