(propan-2-yl)[(trimethyl-1H-pyrazol-4-yl)methyl]amine

• ChemBase ID: 310428
• Molecular Formular: C10H19N3
• Molecular Mass: 181.27796
• Monoisotopic Mass: 181.15789762
• SMILES: c1(c(n(nc1C)C)C)CNC(C)C
• Canonical SMILES: CC(NCc1c(C)nn(c1C)C)C
• InChI: InChI=1S/C10H19N3/c1-7(2)11-6-10-8(3)12-13(5)9(10)4/h7,11H,6H2,1-5H3
• InChIKey: IXYVMPXILWDRQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (propan-2-yl)[(trimethyl-1H-pyrazol-4-yl)methyl]amine
• IUPAC Traditional name: isopropyl[(trimethylpyrazol-4-yl)methyl]amine
• Synonyms: N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine

Database IDs

• CAS Number: 880361-69-3
• MDL Number: MFCD05864527

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.073838
• LogD (pH = 7.4): -0.82735574
• Log P: 1.0637692
• Molar Refractivity: 67.118 cm^3
• Polarizability: 21.312521 Å^3
• Polar Surface Area: 29.85 Å^2