Cas no 80144-43-0 (1H-Pyrazole-4-carbonitrile, 3-amino-5-(4-methoxyphenyl)-)
80144-43-0 structure
Product Name:1H-Pyrazole-4-carbonitrile, 3-amino-5-(4-methoxyphenyl)-
CAS No:80144-43-0
MF:C11H10N4O
MW:214.223301410675
CID:1800430
PubChem ID:9990816
Update Time:2025-04-21
1H-Pyrazole-4-carbonitrile, 3-amino-5-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carbonitrile, 3-amino-5-(4-methoxyphenyl)-
- 5-amino-3-(4-methoxy-phenyl)-1H-pyrazole-4-carbonitrile
- LMLFLHXEAULLHC-UHFFFAOYSA-N
- DB-332853
- SCHEMBL8124145
- 80144-43-0
-
- Inchi： 1S/C11H10N4O/c1-16-8-4-2-7(3-5-8)10-9(6-12)11(13)15-14-10/h2-5H,1H3,(H3,13,14,15)
- InChI Key： LMLFLHXEAULLHC-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(=CC=1)C1=C(C#N)C(N)=NN1
Computed Properties
- Exact Mass: 214.08546096g/mol
- Monoisotopic Mass: 214.08546096g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 279
- 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: 87.7?2
1H-Pyrazole-4-carbonitrile, 3-amino-5-(4-methoxyphenyl)- Related Literature
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
80144-43-0 (1H-Pyrazole-4-carbonitrile, 3-amino-5-(4-methoxyphenyl)-) Related Products
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