512827-24-6
1H-PYRAZOLE-3-CARBOXAMIDE,1-METHYL-4-NITRO-N-2-THIAZOLYL-
Name1H-PYRAZOLE-3-CARBOXAMIDE,1-METHYL-4-NITRO-N-2-THIAZOLYL-
1Identification
【Name】
1H-PYRAZOLE-3-CARBOXAMIDE,1-METHYL-4-NITRO-N-2-THIAZOLYL-
【CAS】
【MDL】
MFCD03757105
【English Synonyms】
【Formula】
C8 H7 N5 O3 S
【MolWeight】
253.241
【Inchi】
InChI=1S/C8H7N5O3S/c1-12-4-5(13(15)16)6(11-12)7(14)10-8-9-2-3-17-8/h2-4H,1H3,(H,9,10,14)
【InChIKey】
InChIKey=ZAZIMXHSFQDZMS-UHFFFAOYSA-N
【SMILES】
Cn1cc(c(n1)C(=O)Nc2nccs2)[N+](=O)[O-]
【MOL File】
1H-PYRAZOLE-3-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRAZOLE-3-CARBOXAMIDE,1-METHYL-4-NITRO-N-2-THIAZOLYL-.cml