5-chloro-2-(1H-pyrazol-5-yl)aniline

• ChemBase ID: 308695
• Molecular Formular: C9H8ClN3
• Molecular Mass: 193.63292
• Monoisotopic Mass: 193.04067495
• SMILES: c1(c2[nH]ncc2)c(cc(cc1)Cl)N
• Canonical SMILES: Clc1ccc(c(c1)N)c1ccn[nH]1
• InChI: InChI=1S/C9H8ClN3/c10-6-1-2-7(8(11)5-6)9-3-4-12-13-9/h1-5H,11H2,(H,12,13)
• InChIKey: HVRSBOGXTCMCGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(1H-pyrazol-5-yl)aniline
• IUPAC Traditional name: 5-chloro-2-(2H-pyrazol-3-yl)aniline
• Synonyms: 5-chloro-2-(1H-pyrazol-5-yl)aniline

Database IDs

• CAS Number: 15463-66-8
• MDL Number: MFCD10037624

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.618601
• LogD (pH = 7.4): 1.6197484
• Log P: 1.619775
• Molar Refractivity: 54.2643 cm^3
• Polarizability: 21.076498 Å^3
• Polar Surface Area: 54.7 Å^2