Chem
J-GLOBAL ID:201807018510341623
Nikkaji number:J3.721.469H
1-(4-Methoxyphenyl)-3-(1-cyano-3-hydroxypropyl)-5-amino-1H-pyrazole-4-carboxylic acid methyl ester
1-(4-メトキシフェニル)-3-(1-シアノ-3-ヒドロキシプロピル)-5-アミノ-1H-ピラゾール-4-カルボン酸メチル
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C16 H18 N4 O4
Molecular formula furigana:
C16-H18-N4-O4
Molecular weight:
330.344
InChI:
InChI=1S/C16H18N4O4/c1-23-12-5-3-11(4-6-12)20-15(18)13(16(22)24-2)14(19-20)10(9-17)7-8-21/h3-6,10,21H,7-8,18H2,1-2H3
InChI key:
WXAHOUBDERNTJW-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(N)n(nc1C(CCO)C#N)c1ccc(OC)cc1
Systematic name (3):
1-(4-メトキシフェニル)-3-(1-シアノ-3-ヒドロキシプロピル)-5-アミノ-1H-ピラゾール-4-カルボン酸メチル
メチル 5-アミノ-3-(1-シアノ-3-ヒドロキシプロピル)-1-(4-メトキシフェニル)-1H-ピラゾール-4-カルボキシラート
methyl 5-amino-3-(1-cyano-3-hydroxypropyl)-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate
Other name (1):
1-(4-Methoxyphenyl)-3-(1-cyano-3-hydroxypropyl)-5-amino-1H-pyrazole-4-carboxylic acid methyl ester
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