1,5-diethyl-1H-pyrazol-4-amine

• ChemBase ID: 243558
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: n1n(c(c(c1)N)CC)CC
• Canonical SMILES: CCn1ncc(c1CC)N
• InChI: InChI=1S/C7H13N3/c1-3-7-6(8)5-9-10(7)4-2/h5H,3-4,8H2,1-2H3
• InChIKey: QDINHCVKXHGLHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-diethyl-1H-pyrazol-4-amine
• IUPAC Traditional name: 1,5-diethylpyrazol-4-amine
• Synonyms: 1,5-diethyl-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD08700620
• PubChem SID: 164299468
• PubChem CID: 23005651

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6509886
• LogD (pH = 7.4): 0.65107054
• Log P: 0.6510716
• Molar Refractivity: 54.0841 cm^3
• Polarizability: 15.476913 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.749

Product Information

• Purity: 95%