926241-40-9
5-AMINO-3-(CYANOMETHYL)-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
Name5-AMINO-3-(CYANOMETHYL)-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
1Identification
【Name】
5-AMINO-3-(CYANOMETHYL)-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
【CAS】
【MDL】
MFCD06352621
【English Synonyms】
【Formula】
C12 H8 F N5
【MolWeight】
241.228
【Inchi】
InChI=1S/C12H8FN5/c13-8-1-3-9(4-2-8)18-12(16)10(7-15)11(17-18)5-6-14/h1-4H,5,16H2
【InChIKey】
InChIKey=RSFIIOTVZILTGF-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1n2c(c(c(n2)CC#N)C#N)N)F
【MOL File】
5-AMINO-3-(CYANOMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-AMINO-3-(CYANOMETHYL)-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE.cml