N,N-dimethyl-6-[4-(1H-pyrazol-5-yl)phenyl]pyridazin-3-amine

• ChemBase ID: 535764
• Molecular Formular: C15H15N5
• Molecular Mass: 265.3131
• Monoisotopic Mass: 265.13274551
• SMILES: n1nc(c2ccc(c3[nH]ncc3)cc2)ccc1N(C)C
• Canonical SMILES: CN(c1ccc(nn1)c1ccc(cc1)c1ccn[nH]1)C
• InChI: InChI=1S/C15H15N5/c1-20(2)15-8-7-13(18-19-15)11-3-5-12(6-4-11)14-9-10-16-17-14/h3-10H,1-2H3,(H,16,17)
• InChIKey: PAMZBZAYUZDVBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-6-[4-(1H-pyrazol-5-yl)phenyl]pyridazin-3-amine
• IUPAC Traditional name: N,N-dimethyl-6-[4-(2H-pyrazol-3-yl)phenyl]pyridazin-3-amine
• Synonyms: N,N-dimethyl-6-[4-(1H-pyrazol-5-yl)phenyl]-3-pyridazinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.914947
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3760993
• LogD (pH = 7.4): 2.3826933
• Log P: 2.382791
• Molar Refractivity: 81.9718 cm^3
• Polarizability: 32.14101 Å^3
• Polar Surface Area: 57.7 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: 2.55
• LOG S: -3.31
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 3