Cas no 50476-17-0 (bis(3,5-dimethyl-1H-pyrazol-1-yl)methanone)
50476-17-0 structure
Product Name:bis(3,5-dimethyl-1H-pyrazol-1-yl)methanone
CAS No:50476-17-0
MF:C11H14N4O
MW:218.255061626434
CID:933776
PubChem ID:333852
Update Time:2025-04-19
bis(3,5-dimethyl-1H-pyrazol-1-yl)methanone Chemical and Physical Properties
Names and Identifiers
-
- bis(3,5-dimethyl-1H-pyrazol-1-yl)methanone
- bis(3,5-dimethylpyrazol-1-yl)methanone
- 1,1'-carbonylbis(3,5-dimethylpyrazole)
- AC1L7E5M
- AG-F-69747
- bis(3,5-dimethyl-1H-pyrazol-1-yl)ketone
- bis(3,5-dimethylpyrazol-1-yl)ketone
- bis-(3,5-dimethylpyrazol-1-yl)ketone
- bis(3,5-dimethylpyrazolyl) ketone
- bis(3,5-Me2-pyrazol-1-yl)ketone
- CHEMBL288884
- CTK4J2666
- NSC337978
- SureCN1862337
- NSC-337978
- 50476-17-0
- SCHEMBL1862337
- DTXSID30318882
-
- Inchi： 1S/C11H14N4O/c1-7-5-9(3)14(12-7)11(16)15-10(4)6-8(2)13-15/h5-6H,1-4H3
- InChI Key： SFGBXSPFHYWYKX-UHFFFAOYSA-N
- SMILES： O=C(N1C(C)=CC(C)=N1)N1C(C)=CC(C)=N1
Computed Properties
- Exact Mass: 218.11692
- Monoisotopic Mass: 218.11676108g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 257
- 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: 2.1
- Topological Polar Surface Area: 52.7?2
Experimental Properties
- PSA: 52.71
bis(3,5-dimethyl-1H-pyrazol-1-yl)methanone Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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4. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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