1-cyclohexyl-3-methyl-1H-pyrazol-5-amine

• ChemBase ID: 144141
• Molecular Formular: C10H17N3
• Molecular Mass: 179.26208
• Monoisotopic Mass: 179.14224756
• SMILES: Cc1cc(n(n1)C1CCCCC1)N
• Canonical SMILES: Nc1cc(nn1C1CCCCC1)C
• InChI: InChI=1S/C10H17N3/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h7,9H,2-6,11H2,1H3
• InChIKey: QCFRHISLUKNFQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-3-methyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-cyclohexyl-5-methylpyrazol-3-amine
• Synonyms: 1-Cyclohexyl-3-methyl-1H-pyrazol-5-amine; 1-cyclohexyl-3-methyl-1H-pyrazol-5-amine

Database IDs

• CAS Number: 56547-82-1
• MDL Number: MFCD03627812
• PubChem SID: 162238358
• PubChem CID: 4571951

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5661801
• LogD (pH = 7.4): 1.5917753
• Log P: 1.5921116
• Molar Refractivity: 64.5208 cm^3
• Polarizability: 20.269463 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H17N3

DETAILS

Sigma Aldrich - CBR00567

Other Notes
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Legal Information
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