Cas no 110086-14-1 (3-(Heptan-3-yl)-1H-pyrazol-5-amine)

3-(Heptan-3-yl)-1H-pyrazol-5-amine structure
110086-14-1 structure
Product Name:3-(Heptan-3-yl)-1H-pyrazol-5-amine
CAS No:110086-14-1
MF:C10H19N3
MW:181.277961969376
CID:1191001
PubChem ID:43125592
Update Time:2025-04-20

3-(Heptan-3-yl)-1H-pyrazol-5-amine Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazol-3-amine, 5-(1-ethylpentyl)-
    • 5-heptan-3-yl-1H-pyrazol-3-amine
    • 5-(heptan-3-yl)-1H-pyrazol-3-amine
    • AKOS008119007
    • EN300-91641
    • 110086-14-1
    • Z362781946
    • 3-(heptan-3-yl)-1H-pyrazol-5-amine
    • 3-(Heptan-3-yl)-1H-pyrazol-5-amine
    • Inchi: 1S/C10H19N3/c1-3-5-6-8(4-2)9-7-10(11)13-12-9/h7-8H,3-6H2,1-2H3,(H3,11,12,13)
    • InChI Key: FITREMZWOJSQAT-UHFFFAOYSA-N
    • SMILES: N1C(=CC(N)=N1)C(CC)CCCC

Computed Properties

  • Exact Mass: 181.15807
  • Monoisotopic Mass: 181.157897619g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 138
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 54.7?2

Experimental Properties

  • PSA: 54.7

3-(Heptan-3-yl)-1H-pyrazol-5-amine Security Information

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