1-(cyclopropylmethyl)-1H-pyrazol-4-amine

• ChemBase ID: 284953
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1(ncc(c1)N)CC1CC1
• Canonical SMILES: Nc1cnn(c1)CC1CC1
• InChI: InChI=1S/C7H11N3/c8-7-3-9-10(5-7)4-6-1-2-6/h3,5-6H,1-2,4,8H2
• InChIKey: MHSVYNAOIXCBLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-1H-pyrazol-4-amine
• IUPAC Traditional name: 1-(cyclopropylmethyl)pyrazol-4-amine
• Synonyms: 1-(cyclopropylmethyl)-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD12138807
• PubChem SID: 180670484
• PubChem CID: 43560372

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.35271838
• LogD (pH = 7.4): 0.3527567
• Log P: 0.3527572
• Molar Refractivity: 51.6038 cm^3
• Polarizability: 14.830673 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.445

Product Information

• Purity: 95%