N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-4-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)benzamide

• ChemBase ID: 624789
• Molecular Formular: C19H23N7O
• Molecular Mass: 365.43222
• Monoisotopic Mass: 365.19640839
• SMILES: n1c(nnn1C)c1ccc(C(=O)NCC2(Cn3nc(cc3C)C)CC2)cc1
• Canonical SMILES: Cc1nn(c(c1)C)CC1(CNC(=O)c2ccc(cc2)c2nnn(n2)C)CC1
• InChI: InChI=1S/C19H23N7O/c1-13-10-14(2)26(22-13)12-19(8-9-19)11-20-18(27)16-6-4-15(5-7-16)17-21-24-25(3)23-17/h4-7,10H,8-9,11-12H2,1-3H3,(H,20,27)
• InChIKey: XZGWZNGDSKVACF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-4-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)benzamide
• IUPAC Traditional name: N-({1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl}methyl)-4-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide
• Synonyms: N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-4-(2-methyl-2H-tetrazol-5-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.246361
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.3120658
• LogD (pH = 7.4): 2.3150506
• Log P: 2.315089
• Molar Refractivity: 137.1674 cm^3
• Polarizability: 38.67005 Å^3
• Polar Surface Area: 90.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.01
• LOG S: -3.58
• Polar Surface Area: 90.52 Å^2
• Rotatable Bonds: 6