515832-63-0
1-METHYL-N-(5-METHYL-3-ISOXAZOLYL)-4-NITRO-1H-PYRAZOLE-3-CARBOXAMIDE
Name1-METHYL-N-(5-METHYL-3-ISOXAZOLYL)-4-NITRO-1H-PYRAZOLE-3-CARBOXAMIDE
1Identification
【Name】
1-METHYL-N-(5-METHYL-3-ISOXAZOLYL)-4-NITRO-1H-PYRAZOLE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD03758938
【English Synonyms】
【Formula】
C9 H9 N5 O4
【MolWeight】
251.201
【Inchi】
InChI=1S/C9H9N5O4/c1-5-3-7(12-18-5)10-9(15)8-6(14(16)17)4-13(2)11-8/h3-4H,1-2H3,(H,10,12,15)
【InChIKey】
InChIKey=INWREQXTSBMORB-UHFFFAOYSA-N
【SMILES】
Cc1cc(no1)NC(=O)c2c(cn(n2)C)[N+](=O)[O-]
【MOL File】
1-METHYL-N-(5-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-N-(5-METHYL-3-ISOXAZOLYL)-4-NITRO-1H-PYRAZOLE-3-CARBOXAMIDE.cml