842132-39-2
1H-FURO[2,3-C]PYRAZOLE-4-CARBONITRILE, 4,5-DIHYDRO-5-IMINO-3-METHYL-1-PHENYL-
Name1H-FURO[2,3-C]PYRAZOLE-4-CARBONITRILE, 4,5-DIHYDRO-5-IMINO-3-METHYL-1-PHENYL-
1Identification
【Name】
1H-FURO[2,3-C]PYRAZOLE-4-CARBONITRILE, 4,5-DIHYDRO-5-IMINO-3-METHYL-1-PHENYL-
【CAS】
【MDL】
MFCD16877849
【English Synonyms】
【Formula】
C13 H10 N4 O
【MolWeight】
238.249
【Inchi】
InChI=1S/C13H10N4O/c1-8-11-10(7-14)12(15)18-13(11)17(16-8)9-5-3-2-4-6-9/h2-6,10,15H,1H3
【InChIKey】
InChIKey=WRVULMKPZSFSRV-UHFFFAOYSA-N
【SMILES】
Cc1c2c(n(n1)c3ccccc3)OC(=N)C2C#N
【MOL File】
1H-FURO[2,3-C]PYRAZO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-FURO[2,3-C]PYRAZOLE-4-CARBONITRILE, 4,5-DIHYDRO-5-IMINO-3-METHYL-1-PHENYL-.cml