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

• ChemBase ID: 264255
• Molecular Formular: C13H16ClN3
• Molecular Mass: 249.73924
• Monoisotopic Mass: 249.10327521
• SMILES: n1(c(ccn1)N)C1c2c(CCC1)cccc2.Cl
• Canonical SMILES: Nc1ccnn1C1CCCc2c1cccc2.Cl
• InChI: InChI=1S/C13H15N3.ClH/c14-13-8-9-15-16(13)12-7-3-5-10-4-1-2-6-11(10)12;/h1-2,4,6,8-9,12H,3,5,7,14H2;1H
• InChIKey: QEZCQOJJXZFZFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13196293
• PubChem SID: 164320165
• PubChem CID: 45792528

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3715782
• LogD (pH = 7.4): 2.374697
• Log P: 2.374737
• Molar Refractivity: 75.7095 cm^3
• Polarizability: 24.345566 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.403

Product Information

• Purity: 95%