1-(pyrimidin-2-yl)-1H-pyrazol-5-amine

• ChemBase ID: 239315
• Molecular Formular: C7H7N5
• Molecular Mass: 161.16398
• Monoisotopic Mass: 161.07014525
• SMILES: n1(c(ccn1)N)c1ncccn1
• Canonical SMILES: Nc1ccnn1c1ncccn1
• InChI: InChI=1S/C7H7N5/c8-6-2-5-11-12(6)7-9-3-1-4-10-7/h1-5H,8H2
• InChIKey: KFLQZGZKAWTIPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12192714
• PubChem SID: 164295225
• PubChem CID: 43531789

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.07400383
• LogD (pH = 7.4): 0.074696206
• Log P: 0.07470504
• Molar Refractivity: 44.9837 cm^3
• Polarizability: 16.112566 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.634

Product Information

• Purity: 95%