Cas no 878742-39-3 (3-(1-cyano-1-methylethyl)-1-methyl-1H-pyrazole-5-carboxylic acid)
878742-39-3 structure
Product Name:3-(1-cyano-1-methylethyl)-1-methyl-1H-pyrazole-5-carboxylic acid
CAS No:878742-39-3
MF:C9H11N3O2
MW:193.202541589737
CID:2141341
PubChem ID:86227386
Update Time:2025-04-21
3-(1-cyano-1-methylethyl)-1-methyl-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(1-cyano-1-methylethyl)-1-methyl-1H-pyrazole-5-carboxylic acid
- DB-338807
- 878742-39-3
-
- Inchi： 1S/C9H11N3O2/c1-9(2,5-10)7-4-6(8(13)14)12(3)11-7/h4H,1-3H3,(H,13,14)
- InChI Key： XMJMTCPZNQYOCD-UHFFFAOYSA-N
- SMILES： OC(C1=CC(C(C#N)(C)C)=NN1C)=O
Computed Properties
- Exact Mass: 193.085126602Da
- Monoisotopic Mass: 193.085126602Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 292
- 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: 0.7
- Topological Polar Surface Area: 78.9?2
3-(1-cyano-1-methylethyl)-1-methyl-1H-pyrazole-5-carboxylic acid Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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