514843-42-6
1H-PYRAZOLE-4-CARBOXAMIDE,1-ETHYL-5-METHYL-N-4-PYRIDINYL-
Name1H-PYRAZOLE-4-CARBOXAMIDE,1-ETHYL-5-METHYL-N-4-PYRIDINYL-
1Identification
【Name】
1H-PYRAZOLE-4-CARBOXAMIDE,1-ETHYL-5-METHYL-N-4-PYRIDINYL-
【CAS】
【MDL】
MFCD03469979
【English Synonyms】
【Formula】
C12 H14 N4 O
【MolWeight】
230.27
【Inchi】
InChI=1S/C12H14N4O/c1-3-16-9(2)11(8-14-16)12(17)15-10-4-6-13-7-5-10/h4-8H,3H2,1-2H3,(H,13,15,17)
【InChIKey】
InChIKey=CFTYSFDXLKUXHR-UHFFFAOYSA-N
【SMILES】
CCn1c(c(cn1)C(=O)Nc2ccncc2)C
【MOL File】
1H-PYRAZOLE-4-CARBOX….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
1H-PYRAZOLE-4-CARBOXAMIDE,1-ETHYL-5-METHYL-N-4-PYRIDINYL-.cml