Cas no 178613-52-0 (Butanamide,N-(4-cyano-1H-pyrazol-3-yl)-)
178613-52-0 structure
Product Name:Butanamide,N-(4-cyano-1H-pyrazol-3-yl)-
CAS No:178613-52-0
MF:C8H10N4O
MW:178.191200733185
CID:112931
PubChem ID:45122934
Update Time:2025-04-18
Butanamide,N-(4-cyano-1H-pyrazol-3-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Butanamide,N-(4-cyano-1H-pyrazol-3-yl)-
- N-(4-cyano-1H-pyrazol-5-yl)butanamide
- Butanamide, N-(4-cyano-1H-pyrazol-3-yl)-
- N-(4-Cyano-1H-pyrazol-3-yl)butyramide
- 178613-52-0
- AP-970/43482141
- AKOS016036094
-
- Inchi： 1S/C8H10N4O/c1-2-3-7(13)11-8-6(4-9)5-10-12-8/h5H,2-3H2,1H3,(H2,10,11,12,13)
- InChI Key： CTMXKYCIVVPLCY-UHFFFAOYSA-N
- SMILES： O=C(CCC)NC1=C(C#N)C=NN1
Computed Properties
- Exact Mass: 178.0856
- Monoisotopic Mass: 178.085
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 232
- 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: 81.6A^2
- XLogP3: 0.8
Experimental Properties
- PSA: 81.57
Butanamide,N-(4-cyano-1H-pyrazol-3-yl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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