957514-02-2
1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID (4-AMINO-PHENYL)-AMIDE
Name1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID (4-AMINO-PHENYL)-AMIDE
1Identification
【Name】
1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID (4-AMINO-PHENYL)-AMIDE
【CAS】
【MDL】
MFCD04969763
【English Synonyms】
【Formula】
C11 H12 N4 O
【MolWeight】
216.243
【Inchi】
InChI=1S/C11H12N4O/c1-15-7-6-10(14-15)11(16)13-9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,16)
【InChIKey】
InChIKey=KWYAUSLUAUUAOB-UHFFFAOYSA-N
【SMILES】
Cn1ccc(n1)C(=O)Nc2ccc(cc2)N
【MOL File】
1-METHYL-1H-PYRAZOLE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID (4-AMINO-PHENYL)-AMIDE.cml