Cas no 63478-75-1 (1H-Pyrazole, 1-acetyl-5-phenyl-)
63478-75-1 structure
Product Name:1H-Pyrazole, 1-acetyl-5-phenyl-
CAS No:63478-75-1
MF:C11H10N2O
MW:186.20990228653
CID:1659234
PubChem ID:71381112
Update Time:2025-04-21
1H-Pyrazole, 1-acetyl-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 1-acetyl-5-phenyl-
- 1-(5-phenylpyrazol-1-yl)ethanone
- DTXSID10803584
- 63478-75-1
- 1-(5-Phenyl-1H-pyrazol-1-yl)ethan-1-one
-
- Inchi： 1S/C11H10N2O/c1-9(14)13-11(7-8-12-13)10-5-3-2-4-6-10/h2-8H,1H3
- InChI Key： MAICOWJOXGIJIE-UHFFFAOYSA-N
- SMILES： O=C(C)N1C(=CC=N1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 186.0794
- Monoisotopic Mass: 186.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 211
- 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: 1.8
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- PSA: 34.89
1H-Pyrazole, 1-acetyl-5-phenyl- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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