N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 734948
• Molecular Formular: C15H21N5O2
• Molecular Mass: 303.35954
• Monoisotopic Mass: 303.16952494
• SMILES: c1(n[nH]c2c1CCCC2)C(=O)N(Cc1n[nH]c(c1)COC)C
• Canonical SMILES: COCc1[nH]nc(c1)CN(C(=O)c1n[nH]c2c1CCCC2)C
• InChI: InChI=1S/C15H21N5O2/c1-20(8-10-7-11(9-22-2)17-16-10)15(21)14-12-5-3-4-6-13(12)18-19-14/h7H,3-6,8-9H2,1-2H3,(H,16,17)(H,18,19)
• InChIKey: IKLBFVOBGZEUSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• Synonyms: N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.773006
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0834852
• LogD (pH = 7.4): 1.0835088
• Log P: 1.0835273
• Molar Refractivity: 84.9813 cm^3
• Polarizability: 30.960527 Å^3
• Polar Surface Area: 86.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.37
• LOG S: -2.41
• Polar Surface Area: 86.9 Å^2
• Rotatable Bonds: 5