1-(propan-2-yl)-N-[1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine

• ChemBase ID: 278324
• Molecular Formular: C20H31N5
• Molecular Mass: 341.49364
• Monoisotopic Mass: 341.25794602
• SMILES: n1(c2c(cn1)CC(NC1Cc3c(n(nc3)C(C)C)CC1)CC2)C(C)C
• Canonical SMILES: CC(n1ncc2c1CCC(C2)NC1CCc2c(C1)cnn2C(C)C)C
• InChI: InChI=1S/C20H31N5/c1-13(2)24-19-7-5-17(9-15(19)11-21-24)23-18-6-8-20-16(10-18)12-22-25(20)14(3)4/h11-14,17-18,23H,5-10H2,1-4H3
• InChIKey: WMOICTBMVHEMTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(propan-2-yl)-N-[1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine
• IUPAC Traditional name: 1-isopropyl-N-(1-isopropyl-4,5,6,7-tetrahydroindazol-5-yl)-4,5,6,7-tetrahydroindazol-5-amine
• Synonyms: 1-(propan-2-yl)-N-[1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine

Database IDs

• MDL Number: MFCD19982538
• PubChem SID: 164334234
• PubChem CID: 54594856

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3774727
• LogD (pH = 7.4): 0.1248015
• Log P: 2.8525121
• Molar Refractivity: 124.7948 cm^3
• Polarizability: 38.91177 Å^3
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.4

Product Information

• Purity: 95%