178879-97-5
1-METHYL-3-((3-PYRIDINYLAMINO)SULFONYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
Name1-METHYL-3-((3-PYRIDINYLAMINO)SULFONYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
1Identification
【Name】
1-METHYL-3-((3-PYRIDINYLAMINO)SULFONYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD01758085
【English Synonyms】
【Formula】
C10 H10 N4 O4 S
【MolWeight】
282.279
【Inchi】
InChI=1S/C10H10N4O4S/c1-14-6-8(10(15)16)9(12-14)19(17,18)13-7-3-2-4-11-5-7/h2-6,13H,1H3,(H,15,16)
【InChIKey】
InChIKey=VGNDHTFPMYXQBV-UHFFFAOYSA-N
【SMILES】
Cn1cc(c(n1)S(=O)(=O)Nc2cccnc2)C(=O)O
【MOL File】
1-METHYL-3-((3-PYRID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-3-((3-PYRIDINYLAMINO)SULFONYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID.cml