1-(1-cyclopropylethyl)-3-methyl-1H-pyrazol-5-amine

• ChemBase ID: 17387
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: n1(C(C2CC2)C)nc(cc1N)C
• Canonical SMILES: CC(n1nc(cc1N)C)C1CC1
• InChI: InChI=1S/C9H15N3/c1-6-5-9(10)12(11-6)7(2)8-3-4-8/h5,7-8H,3-4,10H2,1-2H3
• InChIKey: WWUFXXHXBBRKJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 957514-15-7
• MDL Number: MFCD07186429
• PubChem SID: 160980694
• PubChem CID: 6484423

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.98965716
• Log P: 0.9899934
• Molar Refractivity: 59.8674 cm^3
• Polarizability: 18.42818 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9640631

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false