N-[3-(1-methyl-1H-pyrazol-3-yl)phenyl]-N'-phenylurea (CHEBI:228509)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	N-[3-(1-methyl-1H-pyrazol-3-yl)phenyl]-N'-phenylurea

ChEBI ID	CHEBI:228509

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H16N4O

Net Charge

Average Mass

292.342

Monoisotopic Mass

292.13241

InChI

InChI=1S/C17H16N4O/c1-21-11-10-16(20-21)13-6-5-9-15(12-13)19-17(22)18-14-7-3-2-4-8-14/h2-12H,1H3,(H2,18,19,22)

InChIKey

JESFUBYEPPFHBK-UHFFFAOYSA-N

SMILES

O=C(NC=1C=C(C2=NN(C=C2)C)C=CC1)NC3=CC=CC=C3

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	N-[3-(1-methyl-1H-pyrazol-3-yl)phenyl]-N'-phenylurea (CHEBI:228509) is a pyrazoles (CHEBI:26410) N-[3-(1-methyl-1H-pyrazol-3-yl)phenyl]-N'-phenylurea (CHEBI:228509) is a ring assembly (CHEBI:36820)

IUPAC Name

1-[3-(1-methylpyrazol-3-yl)phenyl]-3-phenylurea