1-BENZYL-3-METHYL-2-PYRAZOLIN-5-ONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H12N2O
Molecular Weight	188.2258
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-BENZYL-3-METHYL-2-PYRAZOLIN-5-ONE

Structure Search

SMILES

CC1=NN(CC2=CC=CC=C2)C(O)=C1

InChI

InChIKey=FQSMUDOPPUNPDW-UHFFFAOYSA-N

InChI=1S/C11H12N2O/c1-9-7-11(14)13(12-9)8-10-5-3-2-4-6-10/h2-7,14H,8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H12N2O
Molecular Weight	188.2258
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 18:49:45 GMT 2025` Edited by `admin` on `Tue Apr 01 18:49:45 GMT 2025`
Record UNII	5FY2G0M9SN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-PYRAZOLIN-5-ONE, 1-BENZYL-3-METHYL-

Preferred Name

English

1-BENZYL-3-METHYL-2-PYRAZOLIN-5-ONE

Systematic Name

English

1H-PYRAZOL-5-OL, 3-METHYL-1-(PHENYLMETHYL)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50241547

Created by admin on Tue Apr 01 18:49:45 GMT 2025 , Edited by admin on Tue Apr 01 18:49:45 GMT 2025

PRIMARY

CAS

946-23-6

Created by admin on Tue Apr 01 18:49:45 GMT 2025 , Edited by admin on Tue Apr 01 18:49:45 GMT 2025

PRIMARY

PUBCHEM

70349

Created by admin on Tue Apr 01 18:49:45 GMT 2025 , Edited by admin on Tue Apr 01 18:49:45 GMT 2025

PRIMARY

ECHA (EC/EINECS)

213-416-4

Created by admin on Tue Apr 01 18:49:45 GMT 2025 , Edited by admin on Tue Apr 01 18:49:45 GMT 2025

PRIMARY

CAS

946-24-7

Created by admin on Tue Apr 01 18:49:45 GMT 2025 , Edited by admin on Tue Apr 01 18:49:45 GMT 2025

ALTERNATIVE

FDA UNII

5FY2G0M9SN

Created by admin on Tue Apr 01 18:49:45 GMT 2025 , Edited by admin on Tue Apr 01 18:49:45 GMT 2025

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