4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-5-amine

• ChemBase ID: 264497
• Molecular Formular: C14H17N3
• Molecular Mass: 227.30488
• Monoisotopic Mass: 227.14224756
• SMILES: n1(c(c(cn1)C)N)C1c2c(CCC1)cccc2
• Canonical SMILES: Cc1cnn(c1N)C1CCCc2c1cccc2
• InChI: InChI=1S/C14H17N3/c1-10-9-16-17(14(10)15)13-8-4-6-11-5-2-3-7-12(11)13/h2-3,5,7,9,13H,4,6,8,15H2,1H3
• InChIKey: PNJFMCIXVQWPBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-5-amine
• IUPAC Traditional name: 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-amine
• Synonyms: 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD11200776
• PubChem SID: 164320407
• PubChem CID: 43148032

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8843899
• LogD (pH = 7.4): 2.8881106
• Log P: 2.8881583
• Molar Refractivity: 80.7507 cm^3
• Polarizability: 26.110975 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.622

Product Information

• Purity: 95%