89193-18-0
3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Name3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD00233461
【English Synonyms】
【Formula】
C14 H16 N2 O2
【MolWeight】
244.292
【Inchi】
InChI=1S/C14H16N2O2/c1-4-18-14(17)13-10(2)15-16(11(13)3)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
【InChIKey】
InChIKey=BUIZDUYEIRRDAV-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(nn(c1C)c2ccccc2)C
【MOL File】
3,5-DIMETHYL-1-PHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER.cml