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Details

Stereochemistry ACHIRAL
Molecular Formula C11H12ClN3O
Molecular Weight 237.685
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

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 237.685
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 Sat Dec 16 12:18:30 GMT 2023
Edited
by admin
on Sat Dec 16 12:18:30 GMT 2023
Record UNII
T5968T6KIM
Record Status Validated (UNII)
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)-
Systematic 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 Sat Dec 16 12:18:30 GMT 2023 , Edited by admin on Sat Dec 16 12:18:30 GMT 2023
PRIMARY
CAS
94247-40-2
Created by admin on Sat Dec 16 12:18:30 GMT 2023 , Edited by admin on Sat Dec 16 12:18:30 GMT 2023
NON-SPECIFIC SUBSTITUTION
CAS
1823643-98-6
Created by admin on Sat Dec 16 12:18:30 GMT 2023 , Edited by admin on Sat Dec 16 12:18:30 GMT 2023
ALTERNATIVE
PUBCHEM
104711
Created by admin on Sat Dec 16 12:18:30 GMT 2023 , Edited by admin on Sat Dec 16 12:18:30 GMT 2023
PRIMARY
FDA UNII
T5968T6KIM
Created by admin on Sat Dec 16 12:18:30 GMT 2023 , Edited by admin on Sat Dec 16 12:18:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
259-038-3
Created by admin on Sat Dec 16 12:18:30 GMT 2023 , Edited by admin on Sat Dec 16 12:18:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID10241260
Created by admin on Sat Dec 16 12:18:30 GMT 2023 , Edited by admin on Sat Dec 16 12:18:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
304-216-9
Created by admin on Sat Dec 16 12:18:30 GMT 2023 , Edited by admin on Sat Dec 16 12:18:30 GMT 2023
ALTERNATIVE