2-[(cyclohexylamino)methyl]-N,N-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide

• ChemBase ID: 782004
• Molecular Formular: C16H27N5O
• Molecular Mass: 305.41848
• Monoisotopic Mass: 305.22156051
• SMILES: c12n(nc(c1)CNC1CCCCC1)CCN(C(=O)N(C)C)C2
• Canonical SMILES: O=C(N1CCn2c(C1)cc(n2)CNC1CCCCC1)N(C)C
• InChI: InChI=1S/C16H27N5O/c1-19(2)16(22)20-8-9-21-15(12-20)10-14(18-21)11-17-13-6-4-3-5-7-13/h10,13,17H,3-9,11-12H2,1-2H3
• InChIKey: SBQHUSHPPQOXAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(cyclohexylamino)methyl]-N,N-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• IUPAC Traditional name: 2-[(cyclohexylamino)methyl]-N,N-dimethyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• Synonyms: 2-[(cyclohexylamino)methyl]-N,N-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0597851
• LogD (pH = 7.4): -0.46520108
• Log P: 0.870771
• Molar Refractivity: 97.8939 cm^3
• Polarizability: 33.486774 Å^3
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.09
• LOG S: -2.36
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 3