1,5-dimethyl-3-(pyrrolidin-1-yl)-1H-pyrazol-4-amine

• ChemBase ID: 309426
• Molecular Formular: C9H16N4
• Molecular Mass: 180.25014
• Monoisotopic Mass: 180.13749653
• SMILES: c1(c(c(n(n1)C)C)N)N1CCCC1
• Canonical SMILES: Cn1nc(c(c1C)N)N1CCCC1
• InChI: InChI=1S/C9H16N4/c1-7-8(10)9(11-12(7)2)13-5-3-4-6-13/h3-6,10H2,1-2H3
• InChIKey: UYAWOPHBKBNBLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dimethyl-3-(pyrrolidin-1-yl)-1H-pyrazol-4-amine
• IUPAC Traditional name: 1,5-dimethyl-3-(pyrrolidin-1-yl)pyrazol-4-amine
• Synonyms: 1,5-dimethyl-3-(1-pyrrolidinyl)-1H-pyrazol-4-amine

Database IDs

• CAS Number: 1227465-80-6
• MDL Number: MFCD15976374

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8757297
• LogD (pH = 7.4): 0.8799856
• Log P: 0.8800401
• Molar Refractivity: 67.0946 cm^3
• Polarizability: 19.566616 Å^3
• Polar Surface Area: 47.08 Å^2