926240-70-2
3,5-DIMETHYL-1-(4-METHYLBENZYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
Name3,5-DIMETHYL-1-(4-METHYLBENZYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
1Identification
【Name】
3,5-DIMETHYL-1-(4-METHYLBENZYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD06660493
【English Synonyms】
【Formula】
C14 H16 N2 O2
【MolWeight】
244.292
【Inchi】
InChI=1S/C14H16N2O2/c1-9-4-6-12(7-5-9)8-16-11(3)13(14(17)18)10(2)15-16/h4-7H,8H2,1-3H3,(H,17,18)
【InChIKey】
InChIKey=QHVTWKGAGKEAJV-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)Cn2c(c(c(n2)C)C(=O)O)C
【MOL File】
3,5-DIMETHYL-1-(4-ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIMETHYL-1-(4-METHYLBENZYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID.cml