5DE

1-(4-AMINOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

Created: 2004-11-23
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count37
Aromatic Bond Count12
2D diagram of 5DE
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Chemical Component Summary

Name1-(4-AMINOPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Systematic Name (OpenEye OEToolkits)ethyl 1-(4-aminophenyl)-3,5-dimethyl-pyrazole-4-carboxylate
FormulaC14 H17 N3 O2
Molecular Weight259.304
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(OCC)c2c(nn(c1ccc(N)cc1)c2C)C
SMILESCACTVS3.341CCOC(=O)c1c(C)nn(c1C)c2ccc(N)cc2
SMILESOpenEye OEToolkits1.5.0CCOC(=O)c1c(nn(c1C)c2ccc(cc2)N)C
Canonical SMILESCACTVS3.341 CCOC(=O)c1c(C)nn(c1C)c2ccc(N)cc2
Canonical SMILESOpenEye OEToolkits1.5.0 CCOC(=O)c1c(nn(c1C)c2ccc(cc2)N)C
InChIInChI1.03 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
InChIKeyInChI1.03 FIEYZIRYXYDMSK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03183 
Name1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
Groups experimental
Synonyms1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester

Drug Targets

NameTarget SequencePharmacological ActionActions
cAMP-specific 3',5'-cyclic phosphodiesterase 4DMEAEGSSAPARAGSGEGSDSAGGATLKAPKHLWRHEQHHQYPLRQPQFRL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 656966