403659-19-8
3-(4-PROPOXYPHENYL)-N'-(1-(4-PYRIDINYL)ETHYLIDENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDE
Name3-(4-PROPOXYPHENYL)-N'-(1-(4-PYRIDINYL)ETHYLIDENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDE
1Identification
【Name】
3-(4-PROPOXYPHENYL)-N'-(1-(4-PYRIDINYL)ETHYLIDENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDE
【CAS】
【MDL】
MFCD02050554
【English Synonyms】
【Formula】
C20 H21 N5 O2
【MolWeight】
363.419
【Inchi】
InChI=1S/C20H21N5O2/c1-3-12-27-17-6-4-16(5-7-17)18-13-19(24-23-18)20(26)25-22-14(2)15-8-10-21-11-9-15/h4-11,13H,3,12H2,1-2H3,(H,23,24)(H,25,26)/b22-14+
【InChIKey】
InChIKey=RBULXCQLHRWBBC-HYARGMPZSA-N
【SMILES】
CCCOc1ccc(cc1)c2cc([nH]n2)C(=O)N/N=C(\C)/c3ccncc3
【MOL File】
3-(4-PROPOXYPHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-PROPOXYPHENYL)-N'-(1-(4-PYRIDINYL)ETHYLIDENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDE.cml