N-methyl-1H-pyrazol-5-amine

• ChemBase ID: 812451
• Molecular Formular: C4H7N3
• Molecular Mass: 97.11848
• Monoisotopic Mass: 97.06399724
• SMILES: N(C)c1[nH]ncc1
• Canonical SMILES: CNc1ccn[nH]1
• InChI: InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)
• InChIKey: UFYFLBNWAMCOML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1H-pyrazol-5-amine
• IUPAC Traditional name: N-methyl-2H-pyrazol-3-amine
• Synonyms: 2H-PYRAZOL-3-YL-METHYLAMINE

Database IDs

• CAS Number: 1037364-03-6

CALCULATED PROPERTIES

• Acid pKa: 13.987648
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.16584018
• LogD (pH = 7.4): -0.16056879
• Log P: -0.16050106
• Molar Refractivity: 29.1925 cm^3
• Polarizability: 10.118508 Å^3
• Polar Surface Area: 40.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%