515829-45-5
1H-PYRAZOLE-5-CARBOXAMIDE, N-(4-METHOXY-2-METHYLPHENYL)-1-METHYL-
Name1H-PYRAZOLE-5-CARBOXAMIDE, N-(4-METHOXY-2-METHYLPHENYL)-1-METHYL-
1Identification
【Name】
1H-PYRAZOLE-5-CARBOXAMIDE, N-(4-METHOXY-2-METHYLPHENYL)-1-METHYL-
【CAS】
【MDL】
MFCD03233191
【English Synonyms】
【Formula】
C13 H15 N3 O2
【MolWeight】
245.281
【Inchi】
InChI=1S/C13H15N3O2/c1-9-8-10(18-3)4-5-11(9)15-13(17)12-6-7-14-16(12)2/h4-8H,1-3H3,(H,15,17)
【InChIKey】
InChIKey=NBBWDJAHRLDDPC-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1NC(=O)c2ccnn2C)OC
【MOL File】
1H-PYRAZOLE-5-CARBOX….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-PYRAZOLE-5-CARBOXAMIDE, N-(4-METHOXY-2-METHYLPHENYL)-1-METHYL-.cml