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

• ChemBase ID: 239111
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1(c(ccn1)N)CC1CC1
• Canonical SMILES: Nc1ccnn1CC1CC1
• InChI: InChI=1S/C7H11N3/c8-7-3-4-9-10(7)5-6-1-2-6/h3-4,6H,1-2,5,8H2
• InChIKey: RALWBLCSFKZYNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 660853-62-3
• MDL Number: MFCD08457366
• PubChem SID: 164295021
• PubChem CID: 28063962

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.43831307
• LogD (pH = 7.4): 0.442001
• Log P: 0.4420482
• Molar Refractivity: 50.8571 cm^3
• Polarizability: 14.828455 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.445

Product Information

• Purity: 95%