5-cyclopropyl-1-methyl-1H-pyrazol-4-amine

• ChemBase ID: 247476
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: c1(n(ncc1N)C)C1CC1
• Canonical SMILES: Nc1cnn(c1C1CC1)C
• InChI: InChI=1S/C7H11N3/c1-10-7(5-2-3-5)6(8)4-9-10/h4-5H,2-3,8H2,1H3
• InChIKey: VFEOYJZWXGBUHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-1-methyl-1H-pyrazol-4-amine
• IUPAC Traditional name: 5-cyclopropyl-1-methylpyrazol-4-amine
• Synonyms: 5-cyclopropyl-1-methyl-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD21773853
• PubChem SID: 164303386
• PubChem CID: 66439808

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.1954378
• LogD (pH = 7.4): 0.19550964
• Log P: 0.19551057
• Molar Refractivity: 52.0049 cm^3
• Polarizability: 14.751808 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.115

Product Information

• Purity: 95%