548767-48-2
4-(PHENYLETHYNYL)-1H-PYRAZOL-1-YL METHYL(PHENYL)CARBAMATE
Name4-(PHENYLETHYNYL)-1H-PYRAZOL-1-YL METHYL(PHENYL)CARBAMATE
1Identification
【Name】
4-(PHENYLETHYNYL)-1H-PYRAZOL-1-YL METHYL(PHENYL)CARBAMATE
【CAS】
【MDL】
MFCD20229026
【English Synonyms】
【Formula】
C19 H15 N3 O2
【MolWeight】
317.346
【Inchi】
InChI=1S/C19H15N3O2/c1-21(18-10-6-3-7-11-18)19(23)24-22-15-17(14-20-22)13-12-16-8-4-2-5-9-16/h2-11,14-15H,1H3
【InChIKey】
InChIKey=VYMINEANSOPAQK-UHFFFAOYSA-N
【SMILES】
CN(c1ccccc1)C(=O)On2cc(cn2)C#Cc3ccccc3
【MOL File】
4-(PHENYLETHYNYL)-1H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(PHENYLETHYNYL)-1H-PYRAZOL-1-YL METHYL(PHENYL)CARBAMATE.cml