2-(3-acetyl-1H-pyrazol-1-yl)-N-[1-(cyclopropylmethyl)-1H-indazol-3-yl]acetamide

• ChemBase ID: 784883
• Molecular Formular: C18H19N5O2
• Molecular Mass: 337.37576
• Monoisotopic Mass: 337.15387487
• SMILES: c1(nn(c2c1cccc2)CC1CC1)NC(=O)Cn1nc(cc1)C(=O)C
• Canonical SMILES: O=C(Nc1nn(c2c1cccc2)CC1CC1)Cn1ccc(n1)C(=O)C
• InChI: InChI=1S/C18H19N5O2/c1-12(24)15-8-9-22(20-15)11-17(25)19-18-14-4-2-3-5-16(14)23(21-18)10-13-6-7-13/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,19,21,25)
• InChIKey: XLFHFQFJCZUNIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-acetyl-1H-pyrazol-1-yl)-N-[1-(cyclopropylmethyl)-1H-indazol-3-yl]acetamide
• IUPAC Traditional name: 2-(3-acetylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)indazol-3-yl]acetamide
• Synonyms: 2-(3-acetyl-1H-pyrazol-1-yl)-N-[1-(cyclopropylmethyl)-1H-indazol-3-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.127709
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0786579
• LogD (pH = 7.4): 2.0785844
• Log P: 2.0786617
• Molar Refractivity: 116.8407 cm^3
• Polarizability: 36.228752 Å^3
• Polar Surface Area: 81.81 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: 2.05
• LOG S: -3.41
• Polar Surface Area: 81.81 Å^2
• Rotatable Bonds: 6