851180-77-3
5-METHYL-1-(4-ISOPROPYLPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Name5-METHYL-1-(4-ISOPROPYLPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
5-METHYL-1-(4-ISOPROPYLPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD16657499
【EnglishSynonyms】
【pro_formula】
C16 H20 N2 O2
【pro_molWeight】
272.346
【Inchi】
InChI=1S/C16H20N2O2/c1-5-20-16(19)15-10-17-18(12(15)4)14-8-6-13(7-9-14)11(2)3/h6-11H,5H2,1-4H3
【InChIKey】
InChIKey=QZDRHKPVPVUZGI-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnn(c1C)c2ccc(cc2)C(C)C
【MOL File】
5-METHYL-1-(4-ISOPRO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-METHYL-1-(4-ISOPROPYLPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER.cml