4-Bromoantipyrine

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H11BrN2O
Molecular Weight	267.122
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Bromoantipyrine

Structure Search

SMILES

CN1N(C(=O)C(Br)=C1C)C2=CC=CC=C2

InChI

InChIKey=QYWWSDVPNCBSIA-UHFFFAOYSA-N

InChI=1S/C11H11BrN2O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C11H11BrN2O
Molecular Weight	267.122
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:38:23 GMT 2025` Edited by `admin` on `Tue Apr 01 19:38:23 GMT 2025`
Record UNII	PND27C4CND
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-Bromoantipyrine

Common Name

English

NSC-14307

Preferred Name

English

4-bromo-1,5-dimethyl-2-phenylpyrazol-3-one

Systematic Name

English

4-Bromo-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one

Systematic Name

English

3H-Pyrazol-3-one, 4-bromo-1,2-dihydro-1,5-dimethyl-2-phenyl-

Systematic Name

English

Code System Code Type Description

PUBCHEM

95032

Created by admin on Tue Apr 01 19:38:23 GMT 2025 , Edited by admin on Tue Apr 01 19:38:23 GMT 2025

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CAS

5426-65-3

Created by admin on Tue Apr 01 19:38:23 GMT 2025 , Edited by admin on Tue Apr 01 19:38:23 GMT 2025

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NSC

14307

Created by admin on Tue Apr 01 19:38:23 GMT 2025 , Edited by admin on Tue Apr 01 19:38:23 GMT 2025

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EPA CompTox

DTXSID30202616

Created by admin on Tue Apr 01 19:38:23 GMT 2025 , Edited by admin on Tue Apr 01 19:38:23 GMT 2025

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FDA UNII

PND27C4CND

Created by admin on Tue Apr 01 19:38:23 GMT 2025 , Edited by admin on Tue Apr 01 19:38:23 GMT 2025

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