{1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methanamine

• ChemBase ID: 143987
• Molecular Formular: C10H17N3
• Molecular Mass: 179.26208
• Monoisotopic Mass: 179.14224756
• SMILES: Cc1cc(n(n1)CC1(CC1)CN)C
• Canonical SMILES: NCC1(CC1)Cn1nc(cc1C)C
• InChI: InChI=1S/C10H17N3/c1-8-5-9(2)13(12-8)7-10(6-11)3-4-10/h5H,3-4,6-7,11H2,1-2H3
• InChIKey: DNMCNCNPTCWTJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methanamine
• IUPAC Traditional name: {1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl}methanamine
• Synonyms: ((1-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl)methyl)amine; ({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)amine

Database IDs

• MDL Number: MFCD09864493
• PubChem SID: 162238204
• PubChem CID: 28064576

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5187778
• LogD (pH = 7.4): -1.9660244
• Log P: 0.5029625
• Molar Refractivity: 64.4749 cm^3
• Polarizability: 20.584017 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H17N3

DETAILS

Sigma Aldrich - CBR00503

Other Notes
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Legal Information
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