57303-42-1
3-METHYL-4-NITROSO-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE
Name3-METHYL-4-NITROSO-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE
1Identification
【Name】
3-METHYL-4-NITROSO-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE
【CAS】
【MDL】
MFCD16620148
【English Synonyms】
【Formula】
C5 H6 N4 O3
【MolWeight】
170.127
【Inchi】
InChI=1S/C5H6N4O3/c1-2-3(8-12)4(10)9(7-2)5(6)11/h3H,1H3,(H2,6,11)
【InChIKey】
InChIKey=YSNUDSDTGUJMFB-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(=O)C1N=O)C(=O)N
【MOL File】
3-METHYL-4-NITROSO-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-4-NITROSO-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE.cml