Cas no 169045-03-8 (Benzoic acid,2-amino-5-(1H-pyrazol-1-yl)-)
169045-03-8 structure
Product Name:Benzoic acid,2-amino-5-(1H-pyrazol-1-yl)-
CAS No:169045-03-8
MF:C10H9N3O2
MW:203.197361707687
CID:111114
PubChem ID:19701902
Update Time:2025-04-18
Benzoic acid,2-amino-5-(1H-pyrazol-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-amino-5-(1H-pyrazol-1-yl)-
- Benzoic acid, 2-amino-5-(1H-pyrazol-1-yl)- (9CI)
- AKOS005606008
- SCHEMBL8296716
- 2-amino-5-(1H-pyrazol-1-yl)benzoic acid
- 2-amino-5-pyrazol-1-ylbenzoic acid
- 169045-03-8
- CS-0336895
-
- Inchi： 1S/C10H9N3O2/c11-9-3-2-7(6-8(9)10(14)15)13-5-1-4-12-13/h1-6H,11H2,(H,14,15)
- InChI Key： VYVHTXFABCPSLO-UHFFFAOYSA-N
- SMILES： OC(C1=C(C=CC(=C1)N1C=CC=N1)N)=O
Computed Properties
- Exact Mass: 203.06957
- Monoisotopic Mass: 203.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 247
- 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: 81.1A^2
- XLogP3: 1.3
Experimental Properties
- PSA: 81.14
Benzoic acid,2-amino-5-(1H-pyrazol-1-yl)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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