5-methyl-1-propyl-1H-pyrazol-3-amine

• ChemBase ID: 33853
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: n1n(c(cc1N)C)CCC
• Canonical SMILES: Cc1cc(nn1CCC)N
• InChI: InChI=1S/C7H13N3/c1-3-4-10-6(2)5-7(8)9-10/h5H,3-4H2,1-2H3,(H2,8,9)
• InChIKey: FPMWRTXRUDPAQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1-propyl-1H-pyrazol-3-amine
• IUPAC Traditional name: 5-methyl-1-propylpyrazol-3-amine
• Synonyms: 5-Methyl-1-propyl-1H-pyrazol-3-amine

Database IDs

• CAS Number: 943107-35-5
• MDL Number: MFCD06740529
• PubChem SID: 160997160
• PubChem CID: 7176041

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.22695
• LogD (pH = 7.4): 1.2452902
• Log P: 1.2455292
• Molar Refractivity: 54.3976 cm^3
• Polarizability: 15.469594 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false