1-(1-cyclopropylethyl)-1H-pyrazol-5-amine

• ChemBase ID: 17386
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: C1(C(n2c(ccn2)N)C)CC1
• Canonical SMILES: CC(n1nccc1N)C1CC1
• InChI: InChI=1S/C8H13N3/c1-6(7-2-3-7)11-8(9)4-5-10-11/h4-7H,2-3,9H2,1H3
• InChIKey: AIWXJQQUPZCXOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclopropylethyl)-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-(1-cyclopropylethyl)pyrazol-3-amine
• Synonyms: 2-(1-Cyclopropyl-ethyl)-2H-pyrazol-3-ylamine; 1-(1-cyclopropylethyl)-1H-pyrazol-5-amine

Database IDs

• CAS Number: 890591-87-4
• MDL Number: MFCD06357826
• PubChem SID: 160980693
• PubChem CID: 3782762

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.85512674
• LogD (pH = 7.4): 0.85857904
• Log P: 0.8586232
• Molar Refractivity: 55.2759 cm^3
• Polarizability: 16.667545 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false