Skip Navigation Links
ScientificNameLabel
N-(3-methoxyphenyl)-1-methyl-1H-Pyrazole-5-carboxamide
PHCD compound ID : 4136
Chemical Names :
N-(3-methoxyphenyl)-1-methyl-1H-Pyrazole-5-carboxamide
Molecular Formula : C12H13N3O2
Molecular Weight : 231.100777
More Details :
Names & Synonyms: N-(3-methoxyphenyl)-2-methyl-pyrazole-3-carboxamide , N-(3-methoxyphenyl)-2-methyl-3-pyrazolecarboxamide , N-(3-methoxyphenyl)-2-methylpyrazole-3-carboxamide
Smiles: COc1cccc(c1)NC(=O)c1ccnn1C
InChi : InChI=1S/C12H13N3O2/c1-15-11(6-7-13-15)12(16)14-9-4-3-5-10(8-9)17-2/h3-8H,1-2H3,(H,14,16)
InChi Key : InChIKey=MPJADDFUSIOQBF-UHFFFAOYSA-N
PubChem ID : 1509913
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.872050
Hydrogen bond donor count : 1 Electric dipole moment : 2.414
XLogP : 0.94 VDW volume : 204.347339
Molecular weight : 231.100777 HOMO-LUMO gap : 8.348000
Herb list :
Refrences & Litretures:
  
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us