5-AMINO-2-(2-CHLORO-4,6-DIMETHYLPHENYL)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H12ClN3O
Molecular Weight	237.6858
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-AMINO-2-(2-CHLORO-4,6-DIMETHYLPHENYL)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE

Structure Search

SMILES

CC1=CC(C)=C(N2N=C(N)C=C2O)C(Cl)=C1

InChI

InChIKey=XHVSGQRNLDXJRF-UHFFFAOYSA-N

InChI=1S/C11H12ClN3O/c1-6-3-7(2)11(8(12)4-6)15-10(16)5-9(13)14-15/h3-5,16H,1-2H3,(H2,13,14)

HIDE SMILES / InChI

Molecular Formula	C11H12ClN3O
Molecular Weight	237.6858
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 18:53:20 GMT 2025` Edited by `admin` on `Tue Apr 01 18:53:20 GMT 2025`
Record UNII	T5968T6KIM
Record Status	`FAILED`
Record Version

Download

Name

Type

Language

5-AMINO-2-(2-CHLORO-4,6-DIMETHYLPHENYL)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE

Systematic Name

English

2-PYRAZOLIN-5-ONE, 3-AMINO-1-(6-CHLORO-2,4-XYLYL)-

Preferred Name

English

3H-PYRAZOL-3-ONE, 5-AMINO-2-(2-CHLORO-4,6-DIMETHYLPHENYL)-2,4-DIHYDRO-

Systematic Name

English

Code System Code Type Description

CAS

54241-45-1

Created by admin on Tue Apr 01 18:53:20 GMT 2025 , Edited by admin on Tue Apr 01 18:53:20 GMT 2025

PRIMARY

CAS

94247-40-2

Created by admin on Tue Apr 01 18:53:20 GMT 2025 , Edited by admin on Tue Apr 01 18:53:20 GMT 2025

NON-SPECIFIC SUBSTITUTION

CAS

1823643-98-6

Created by admin on Tue Apr 01 18:53:20 GMT 2025 , Edited by admin on Tue Apr 01 18:53:20 GMT 2025

ALTERNATIVE

PUBCHEM

104711

Created by admin on Tue Apr 01 18:53:20 GMT 2025 , Edited by admin on Tue Apr 01 18:53:20 GMT 2025

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FDA UNII

T5968T6KIM

Created by admin on Tue Apr 01 18:53:20 GMT 2025 , Edited by admin on Tue Apr 01 18:53:20 GMT 2025

PRIMARY

ECHA (EC/EINECS)

259-038-3

Created by admin on Tue Apr 01 18:53:20 GMT 2025 , Edited by admin on Tue Apr 01 18:53:20 GMT 2025

PRIMARY

ECHA (EC/EINECS)

304-216-9

Created by admin on Tue Apr 01 18:53:20 GMT 2025 , Edited by admin on Tue Apr 01 18:53:20 GMT 2025

ALTERNATIVE

EPA CompTox

DTXSID2068925

Created by admin on Tue Apr 01 18:53:20 GMT 2025 , Edited by admin on Tue Apr 01 18:53:20 GMT 2025

PRIMARY