1-(butan-2-yl)-5-cyclopropyl-1H-pyrazol-4-amine

• ChemBase ID: 244878
• Molecular Formular: C10H17N3
• Molecular Mass: 179.26208
• Monoisotopic Mass: 179.14224756
• SMILES: n1(c(c(cn1)N)C1CC1)C(CC)C
• Canonical SMILES: CCC(n1ncc(c1C1CC1)N)C
• InChI: InChI=1S/C10H17N3/c1-3-7(2)13-10(8-4-5-8)9(11)6-12-13/h6-8H,3-5,11H2,1-2H3
• InChIKey: ARUDVOYVLYHRHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(butan-2-yl)-5-cyclopropyl-1H-pyrazol-4-amine
• IUPAC Traditional name: 5-cyclopropyl-1-(sec-butyl)pyrazol-4-amine
• Synonyms: 1-(butan-2-yl)-5-cyclopropyl-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD06805484
• PubChem SID: 164300788
• PubChem CID: 19620130

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4913515
• LogD (pH = 7.4): 1.4914151
• Log P: 1.491416
• Molar Refractivity: 65.6963 cm^3
• Polarizability: 20.271614 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.252

Product Information

• Purity: 95%