941236-28-8
3-(4-FLUOROPHENYL)-2,7-DIMETHYL-PYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID
Name3-(4-FLUOROPHENYL)-2,7-DIMETHYL-PYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID
pro_formulaC15 H12 F N3 O2
1Identification
【Name】
3-(4-FLUOROPHENYL)-2,7-DIMETHYL-PYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09754809
【EnglishSynonyms】
【pro_formula】
C15 H12 F N3 O2
【pro_molWeight】
285.277
【Inchi】
InChI=1S/C15H12FN3O2/c1-8-13(10-3-5-11(16)6-4-10)14-17-7-12(15(20)21)9(2)19(14)18-8/h3-7H,1-2H3,(H,20,21)
【InChIKey】
InChIKey=YWIRYROMUTVMCA-UHFFFAOYSA-N
【SMILES】
Cc1c(c2ncc(c(n2n1)C)C(=O)O)c3ccc(cc3)F
【MOL File】
3-(4-FLUOROPHENYL)-2….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-(4-FLUOROPHENYL)-2,7-DIMETHYL-PYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID.cml