Cas no 79392-37-3 (2-Propenamide,N-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]-)
79392-37-3 structure
Product Name:2-Propenamide,N-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]-
CAS No:79392-37-3
MF:C13H13N3O2
MW:243.261222600937
CID:571456
PubChem ID:3018827
Update Time:2025-04-19
2-Propenamide,N-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenamide,N-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]-
- N-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]prop-2-enamide
- N-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]acrylamide
- 2-Propenamide,N-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]
- Acrylanilide,4'-(3-methyl-5-oxo-2-pyrazolin-1-yl)-(7CI)
- EINECS 279-142-2
- N-(4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)acrylamide
- 79392-37-3
- DTXSID301000444
- NS00060569
- N-[4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)phenyl]prop-2-enamide
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- Inchi: 1S/C13H13N3O2/c1-3-12(17)14-10-4-6-11(7-5-10)16-13(18)8-9(2)15-16/h3-7H,1,8H2,2H3,(H,14,17)
- InChI Key: MTPRPDLAMYHMGE-UHFFFAOYSA-N
- SMILES: O=C1CC(C)=NN1C1C=CC(=CC=1)NC(C=C)=O
Computed Properties
- Exact Mass: 243.10100
- Monoisotopic Mass: 243.100777
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 395
- 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
- Topological Polar Surface Area: 61.8
- XLogP3: 1
Experimental Properties
- Density: 1.22
- Boiling Point: 518°C at 760 mmHg
- Flash Point: 267.1°C
- Refractive Index: 1.611
- PSA: 61.77000
- LogP: 1.49730
2-Propenamide,N-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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