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

• ChemBase ID: 14942
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: n1(c(cc(n1)C)N)CCC
• Canonical SMILES: CCCn1nc(cc1N)C
• InChI: InChI=1S/C7H13N3/c1-3-4-10-7(8)5-6(2)9-10/h5H,3-4,8H2,1-2H3
• InChIKey: MTCLLJFZYXMFAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-propyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 5-methyl-2-propylpyrazol-3-amine
• Synonyms: 5-Methyl-2-propyl-2H-pyrazol-3-ylamine; 3-methyl-1-propyl-1H-pyrazol-5-amine; 3-(5-AMino-3-Methyl-1H-pyrazol-1-yl)propane

Database IDs

• CAS Number: 61255-82-1; 3524-34-3
• MDL Number: MFCD05237221
• PubChem SID: 160978249
• PubChem CID: 1094292

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6442777
• LogD (pH = 7.4): 0.6718089
• Log P: 0.6721715
• Molar Refractivity: 52.7792 cm^3
• Polarizability: 15.474102 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

Product Information

• Purity: 97%