3-cyclopropyl-1H-pyrazol-5-amine

• ChemBase ID: 68622
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: [nH]1nc(cc1N)C1CC1
• Canonical SMILES: Nc1[nH]nc(c1)C1CC1
• InChI: InChI=1S/C6H9N3/c7-6-3-5(8-9-6)4-1-2-4/h3-4H,1-2H2,(H3,7,8,9)
• InChIKey: MXVAGCQKBDMKPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropyl-1H-pyrazol-5-amine; 5-cyclopropyl-1H-pyrazol-3-amine
• IUPAC Traditional name: 5-cyclopropyl-2H-pyrazol-3-amine; 5-cyclopropyl-1H-pyrazol-3-amine
• Synonyms: 3-Cyclopropyl-1H-pyrazol-5-amine; 5-Cyclopropyl-1H-pyrazole-3-amine; 3-Amino-5-cyclopropyl-1H-pyrazole; 3-Cyclopropyl-1H-pyrazol-5-amine; (5-Amino-1H-pyrazol-3-yl)cyclopropane; 5-Amino-3-cyclopropyl-1H-pyrazole; 3-氨基-5-环丙基-1H-吡唑

Database IDs

• CAS Number: 175137-46-9
• MDL Number: MFCD00067985; MFCD08461681
• PubChem SID: 162034352
• PubChem CID: 2758014

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.44866782
• Log P: 0.44896126
• Molar Refractivity: 35.6898 cm^3
• Polarizability: 12.991034 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.614956
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.42625222

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.577

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 95%; 95+%; 96%; 98%