Cas no 257863-04-0 (1H-Pyrazole-4-carboxylicacid, 1-(4-aminophenyl)-3,5-dimethyl-, ethyl ester)
257863-04-0 structure
Product Name:1H-Pyrazole-4-carboxylicacid, 1-(4-aminophenyl)-3,5-dimethyl-, ethyl ester
CAS No:257863-04-0
MF:C14H17N3O2
MW:259.303683042526
CID:246971
PubChem ID:656966
Update Time:2025-04-19
1H-Pyrazole-4-carboxylicacid, 1-(4-aminophenyl)-3,5-dimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylicacid, 1-(4-aminophenyl)-3,5-dimethyl-, ethyl ester
- ETHYL 1-(4-AMINOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLATE
- ethyl 1-(4-aminophenyl)-3,5-dimethylpyrazole-4-carboxylate
- 1-(4-AMINOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- 1y2e
- 3,5-dimethyl-1-(4-aminophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
- 5DE
- Pyrazole carboxylic ester 19
- Ethyl 1-(4-aminophenyl)-3,5-dimethyl-pyrazole-4-carboxylate
- Q27094118
- UNII-T6MC6N4LS7
- NS00068219
- SR-01000641890-1
- HMS563C08
- CHEMBL1230397
- 257863-04-0
- HMS3604O17
- 1-(4-amino-phenyl)-3,5-dimethyl-1h-pyrazole-4-carboxylic acid ethyl ester
- SCHEMBL4314951
- T6MC6N4LS7
- DTXSID10349674
- PD007742
- CCG-52675
- BDBM14796
- Maybridge1_007620
- 1H-Pyrazole-4-carboxylic acid, 1-(4-aminophenyl)-3,5-dimethyl-, ethyl ester
- DB03183
- FT-0625819
- DB-067465
-
- Inchi： 1S/C14H17N3O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-7-5-11(15)6-8-12/h5-8H,4,15H2,1-3H3
- InChI Key： FIEYZIRYXYDMSK-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C(C)=NN(C2C=CC(=CC=2)N)C=1C)=O
Computed Properties
- Exact Mass: 259.13200
- Monoisotopic Mass: 259.132076794g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 316
- 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: 2.2
- Topological Polar Surface Area: 70.1?2
Experimental Properties
- PSA: 70.14000
- LogP: 2.82920
1H-Pyrazole-4-carboxylicacid, 1-(4-aminophenyl)-3,5-dimethyl-, ethyl ester Security Information
- Safety Instruction： S24/25
- Safety Term：S24/25
1H-Pyrazole-4-carboxylicacid, 1-(4-aminophenyl)-3,5-dimethyl-, ethyl ester Related Literature
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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