3-(5-cyclopropyl-1H-pyrazol-1-yl)propan-1-amine

• ChemBase ID: 309311
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: c1(n(ncc1)CCCN)C1CC1
• Canonical SMILES: NCCCn1nccc1C1CC1
• InChI: InChI=1S/C9H15N3/c10-5-1-7-12-9(4-6-11-12)8-2-3-8/h4,6,8H,1-3,5,7,10H2
• InChIKey: XLHPUYCMANUDIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-cyclopropyl-1H-pyrazol-1-yl)propan-1-amine
• IUPAC Traditional name: 3-(5-cyclopropylpyrazol-1-yl)propan-1-amine
• Synonyms: 3-(5-cyclopropyl-1H-pyrazol-1-yl)-1-propanamine

Database IDs

• CAS Number: 1006469-86-8
• MDL Number: MFCD06805009

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7387443
• LogD (pH = 7.4): -2.3774822
• Log P: 0.28741243
• Molar Refractivity: 60.1197 cm^3
• Polarizability: 18.820824 Å^3
• Polar Surface Area: 43.84 Å^2