Cas no 38858-98-9 (1H-Pyrazole, 1-acetyl-3-phenyl-)
38858-98-9 structure
Product Name:1H-Pyrazole, 1-acetyl-3-phenyl-
CAS No:38858-98-9
MF:C11H10N2O
MW:186.20990228653
CID:1492446
PubChem ID:15768370
Update Time:2025-04-21
1H-Pyrazole, 1-acetyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 1-acetyl-3-phenyl-
- 1-(3-phenylpyrazol-1-yl)ethanone
- 1-Acetyl-3-phenyl-1H-pyrazole
- 38858-98-9
- DTXSID70578145
- 1-(3-Phenyl-1H-pyrazol-1-yl)ethan-1-one
-
- Inchi： 1S/C11H10N2O/c1-9(14)13-8-7-11(12-13)10-5-3-2-4-6-10/h2-8H,1H3
- InChI Key： ZZEDMOLFOCWOCK-UHFFFAOYSA-N
- SMILES： O=C(C)N1C=CC(C2C=CC=CC=2)=N1
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-3-phenyl- Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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