1-(1H-pyrazol-1-yl)propan-2-amine

• ChemBase ID: 256326
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: n1(nccc1)CC(N)C
• Canonical SMILES: CC(Cn1cccn1)N
• InChI: InChI=1S/C6H11N3/c1-6(7)5-9-4-2-3-8-9/h2-4,6H,5,7H2,1H3
• InChIKey: UWVUXGHAXNILPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1H-pyrazol-1-yl)propan-2-amine
• IUPAC Traditional name: 1-(pyrazol-1-yl)propan-2-amine
• Synonyms: 1-(1H-pyrazol-1-yl)propan-2-amine

Database IDs

• CAS Number: 57939-04-5; 936940-15-7
• MDL Number: MFCD04970166
• PubChem SID: 164312236
• PubChem CID: 6483888

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9930096
• LogD (pH = 7.4): -2.3460393
• Log P: 0.020697089
• Molar Refractivity: 47.33 cm^3
• Polarizability: 14.103987 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.049

Product Information

• Purity: 95%