CHEBI:121944 - 2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridine
ChEBI ID CHEBI:121944
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H21N5O3
Net Charge 0
Average Mass 379.413
Monoisotopic Mass 379.16444
InChI InChI=1S/C20H21N5O3/c1-28-16-6-4-14(5-7-16)17-13-18(23-22-17)15-8-11-24(12-9-15)20-19(25(26)27)3-2-10-21-20/h2-7,10,13,15H,8-9,11-12H2,1H3,(H,22,23)
InChIKey RXYLMVYPPGECAL-UHFFFAOYSA-N
SMILES COC1=CC=C(C=C1)C2=NNC(=C2)C3CCN(CC3)C4=C(C=CC=N4)[N+](=O)[O-]
ChEBI Ontology
Outgoing 2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridine (CHEBI:121944) is a pyrazoles (CHEBI:26410)
2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridine (CHEBI:121944) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-33387 LINCS
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