Cas no 1107627-16-6 (1-(Azetidin-3-yl)-1H-pyrazole)

1-(Azetidin-3-yl)-1H-pyrazole is a heterocyclic compound featuring a pyrazole ring linked to an azetidine moiety at the 3-position. This structure imparts unique reactivity and versatility, making it a valuable intermediate in medicinal chemistry and pharmaceutical research. The azetidine ring contributes to conformational rigidity, potentially enhancing binding affinity in drug design, while the pyrazole group offers sites for further functionalization. Its compact, sp3-rich framework aligns with modern strategies for improving metabolic stability and solubility in small-molecule therapeutics. The compound is particularly useful in the synthesis of bioactive molecules, including kinase inhibitors and other targeted therapies, due to its balanced lipophilicity and hydrogen-bonding capabilities.
1-(Azetidin-3-yl)-1H-pyrazole structure
1-(Azetidin-3-yl)-1H-pyrazole structure
Product Name:1-(Azetidin-3-yl)-1H-pyrazole
CAS No:1107627-16-6
MF:C6H9N3
MW:123.155760526657
MDL:MFCD09971220
CID:1087229
PubChem ID:28064547
Update Time:2025-05-27

1-(Azetidin-3-yl)-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-(Azetidin-3-yl)-1H-pyrazole
    • 1-(3-azetidinyl)-1H-pyrazole(SALTDATA: 2HCl)
    • 1-(azetidin-3-yl)pyrazole
    • 1-azetidin-3-yl-1H-pyrazole
    • F2147-1195
    • ALBB-022629
    • 1107627-16-6
    • C90684
    • 1-(3-azetidinyl)-1H-pyrazole
    • EN300-65548
    • DA-15529
    • A906389
    • MFCD09971220
    • SCHEMBL2030270
    • BTVFEBGEHBKUDA-UHFFFAOYSA-N
    • CS-0216995
    • 1H-pyrazole, 1-(3-azetidinyl)-, dihydrochloride
    • BS-13122
    • SB51416
    • AKOS012079991
    • TQP1374
    • DTXSID00650948
    • MDL： MFCD09971220
    • Inchi： 1S/C6H9N3/c1-2-8-9(3-1)6-4-7-5-6/h1-3,6-7H,4-5H2
    • InChI Key： BTVFEBGEHBKUDA-UHFFFAOYSA-N
    • SMILES： N1CC(C1)N1C=CC=N1

Computed Properties

  • Exact Mass: 123.08000
  • Monoisotopic Mass: 123.079647300g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 101
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.5
  • Topological Polar Surface Area: 29.8?2

Experimental Properties

  • PSA: 29.85000
  • LogP: 0.35620

1-(Azetidin-3-yl)-1H-pyrazole Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-(Azetidin-3-yl)-1H-pyrazole Pricemore >>

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Chemenu
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Alichem
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abcr
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abcr
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Chemenu
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Chemenu
CM188833-5g
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Enamine
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