3-(cyclopropylmethyl)-1-methyl-1H-pyrazol-5-amine

• ChemBase ID: 239264
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1(n(nc(c1)CC1CC1)C)N
• Canonical SMILES: Nc1cc(nn1C)CC1CC1
• InChI: InChI=1S/C8H13N3/c1-11-8(9)5-7(10-11)4-6-2-3-6/h5-6H,2-4,9H2,1H3
• InChIKey: CAQBAICKUXXMPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopropylmethyl)-1-methyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 5-(cyclopropylmethyl)-2-methylpyrazol-3-amine
• Synonyms: 3-(cyclopropylmethyl)-1-methyl-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD16665738
• PubChem SID: 164295174
• PubChem CID: 61562211

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7401254
• LogD (pH = 7.4): 0.76096654
• Log P: 0.7612388
• Molar Refractivity: 55.4809 cm^3
• Polarizability: 16.587923 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.714

Product Information

• Purity: 95%