Cas no 175135-02-1 (1,1'-(5-Methyl-1H-pyrazole-1,4-diyl)diethanone)
175135-02-1 structure
Product Name:1,1'-(5-Methyl-1H-pyrazole-1,4-diyl)diethanone
CAS No:175135-02-1
MF:C8H10N2O2
MW:166.177201747894
CID:856040
PubChem ID:18363501
Update Time:2025-04-19
1,1'-(5-Methyl-1H-pyrazole-1,4-diyl)diethanone Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-(5-Methyl-1H-pyrazole-1,4-diyl)diethanone
- 1H-Pyrazole, 1,4-diacetyl-5-methyl- (9CI)
- 1,4-BIS(ACETYL)-5-METHYLPYRAZOLE
- 1-(1-acetyl-5-methyl-1H-pyrazol-4-yl)ethan-1-one
- 1-(1-acetyl-5-methylpyrazol-4-yl)ethanone
- 1,4-diacetyl-5-methyl-1H-Pyrazole
-
- Inchi： 1S/C8H10N2O2/c1-5-8(6(2)11)4-9-10(5)7(3)12/h4H,1-3H3
- InChI Key： ZXZFTAQXRNWCEQ-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=NN(C(C)=O)C=1C
Computed Properties
- Exact Mass: 166.0743
- Monoisotopic Mass: 166.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 215
- 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: 0.2
- Topological Polar Surface Area: 52?2
Experimental Properties
- PSA: 51.96
1,1'-(5-Methyl-1H-pyrazole-1,4-diyl)diethanone Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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