Cas no 784142-98-9 (1H-Pyrazole-5-carboxylic acid, 3-(3-bromophenyl)-1-methyl-, ethyl ester)
784142-98-9 structure
Product Name:1H-Pyrazole-5-carboxylic acid, 3-(3-bromophenyl)-1-methyl-, ethyl ester
CAS No:784142-98-9
MF:C13H13BrN2O2
MW:309.158522367477
CID:1792069
PubChem ID:57428256
Update Time:2025-04-21
1H-Pyrazole-5-carboxylic acid, 3-(3-bromophenyl)-1-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-carboxylic acid, 3-(3-bromophenyl)-1-methyl-, ethyl ester
- SCHEMBL4489852
- 784142-98-9
- DA-02798
-
- Inchi: 1S/C13H13BrN2O2/c1-3-18-13(17)12-8-11(15-16(12)2)9-5-4-6-10(14)7-9/h4-8H,3H2,1-2H3
- InChI Key: BNQFPAOQKXUTGU-UHFFFAOYSA-N
- SMILES: BrC1=CC=CC(=C1)C1C=C(C(=O)OCC)N(C)N=1
Computed Properties
- Exact Mass: 308.01604g/mol
- Monoisotopic Mass: 308.01604g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 301
- 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: 3.1
- Topological Polar Surface Area: 44.1?2
1H-Pyrazole-5-carboxylic acid, 3-(3-bromophenyl)-1-methyl-, ethyl ester Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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