[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methanamine

• ChemBase ID: 307993
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: C1(CC1)(Cn1nccc1)CN
• Canonical SMILES: NCC1(CC1)Cn1cccn1
• InChI: InChI=1S/C8H13N3/c9-6-8(2-3-8)7-11-5-1-4-10-11/h1,4-5H,2-3,6-7,9H2
• InChIKey: KLSLGEOJPPVCBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(pyrazol-1-ylmethyl)cyclopropyl]methanamine
• Synonyms: 1-[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methanamine

Database IDs

• CAS Number: 1177297-60-7
• MDL Number: MFCD09971230

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8468492
• LogD (pH = 7.4): -2.296924
• Log P: 0.17203104
• Molar Refractivity: 54.7337 cm^3
• Polarizability: 17.05889 Å^3
• Polar Surface Area: 43.84 Å^2