N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

• ChemBase ID: 839965
• Molecular Formular: C18H27N5O
• Molecular Mass: 329.43988
• Monoisotopic Mass: 329.22156051
• SMILES: n1(nc(cc1C)C)C(CNC(=O)CCc1n[nH]c2c1CCCC2)C
• Canonical SMILES: O=C(CCc1n[nH]c2c1CCCC2)NCC(n1nc(cc1C)C)C
• InChI: InChI=1S/C18H27N5O/c1-12-10-13(2)23(22-12)14(3)11-19-18(24)9-8-17-15-6-4-5-7-16(15)20-21-17/h10,14H,4-9,11H2,1-3H3,(H,19,24)(H,20,21)
• InChIKey: RJDCCCVNDIWXJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
• IUPAC Traditional name: N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
• Synonyms: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.221311
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8408484
• LogD (pH = 7.4): 1.8437939
• Log P: 1.8438315
• Molar Refractivity: 106.6152 cm^3
• Polarizability: 35.803802 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: 2.38
• LOG S: -3.63
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 6