[(2,2-dimethyl-1-phenylcyclopropyl)methyl](methyl){4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}amine

• ChemBase ID: 323390
• Molecular Formular: C20H28N4
• Molecular Mass: 324.46312
• Monoisotopic Mass: 324.23139692
• SMILES: C1(C(C1)(C)C)(CN(Cc1nn2c(c1)CNCC2)C)c1ccccc1
• Canonical SMILES: CN(CC1(CC1(C)C)c1ccccc1)Cc1nn2c(c1)CNCC2
• InChI: InChI=1S/C20H28N4/c1-19(2)14-20(19,16-7-5-4-6-8-16)15-23(3)13-17-11-18-12-21-9-10-24(18)22-17/h4-8,11,21H,9-10,12-15H2,1-3H3
• InChIKey: OMFWABXWSYDDCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,2-dimethyl-1-phenylcyclopropyl)methyl](methyl){4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}amine
• IUPAC Traditional name: [(2,2-dimethyl-1-phenylcyclopropyl)methyl](methyl){4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}amine
• Synonyms: 1-(2,2-dimethyl-1-phenylcyclopropyl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.729965
• LogD (pH = 7.4): 1.6336678
• Log P: 2.6102479
• Molar Refractivity: 109.5972 cm^3
• Polarizability: 38.444954 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.57
• LOG S: -2.75
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 5