Cas no 474956-99-5 (1H-Pyrazole-4-carboxaldehyde, 5-amino-1-(2-hydroxyethyl)- (9CI))
474956-99-5 structure
Product Name:1H-Pyrazole-4-carboxaldehyde, 5-amino-1-(2-hydroxyethyl)- (9CI)
CAS No:474956-99-5
MF:C6H9N3O2
MW:155.154560804367
CID:1017634
PubChem ID:17962034
Update Time:2025-04-20
1H-Pyrazole-4-carboxaldehyde, 5-amino-1-(2-hydroxyethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxaldehyde, 5-amino-1-(2-hydroxyethyl)- (9CI)
- SCHEMBL5148651
- 5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carbaldehyde
- 1H-Pyrazole-4-carboxaldehyde,5-amino-1-(2-hydroxyethyl)-(9ci)
- 5-amino-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde
- 474956-99-5
- CIAPTYBADDVAGM-UHFFFAOYSA-N
- 1H-PYRAZOLE-4-CARBOXALDEHYDE, 5-AMINO-1-(2-HYDROXYETHYL)-
- DB-267991
-
- Inchi： 1S/C6H9N3O2/c7-6-5(4-11)3-8-9(6)1-2-10/h3-4,10H,1-2,7H2
- InChI Key： CIAPTYBADDVAGM-UHFFFAOYSA-N
- SMILES： OCCN1C(=C(C=O)C=N1)N
Computed Properties
- Exact Mass: 155.069
- Monoisotopic Mass: 155.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 142
- 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: -0.9
1H-Pyrazole-4-carboxaldehyde, 5-amino-1-(2-hydroxyethyl)- (9CI) Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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