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Details

Stereochemistry ACHIRAL
Molecular Formula C10H11N3O.ClH
Molecular Weight 225.675
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-methyl-, monohydrochloride

SMILES

Cl.CC1=NN(C(=O)C1)C2=CC=C(N)C=C2

InChI

InChIKey=HUVTUSZGKJGSDV-UHFFFAOYSA-N
InChI=1S/C10H11N3O.ClH/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9;/h2-5H,6,11H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C10H11N3O
Molecular Weight 189.2138
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 12:00:32 GMT 2023
Edited
by admin
on Sat Dec 16 12:00:32 GMT 2023
Record UNII
JQ5PAZ7KNQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-methyl-, monohydrochloride
Systematic Name English
2-(4-Aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one monohydrochloride
Systematic Name English
3H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-methyl-, hydrochloride (1:1)
Systematic Name English
3H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-methyl-, hydrochloride
Common Name English
Code System Code Type Description
CAS
59994-27-3
Created by admin on Sat Dec 16 12:00:32 GMT 2023 , Edited by admin on Sat Dec 16 12:00:32 GMT 2023
PRIMARY
ECHA (EC/EINECS)
262-016-6
Created by admin on Sat Dec 16 12:00:32 GMT 2023 , Edited by admin on Sat Dec 16 12:00:32 GMT 2023
PRIMARY
FDA UNII
JQ5PAZ7KNQ
Created by admin on Sat Dec 16 12:00:32 GMT 2023 , Edited by admin on Sat Dec 16 12:00:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID70208697
Created by admin on Sat Dec 16 12:00:32 GMT 2023 , Edited by admin on Sat Dec 16 12:00:32 GMT 2023
PRIMARY
PUBCHEM
3017166
Created by admin on Sat Dec 16 12:00:32 GMT 2023 , Edited by admin on Sat Dec 16 12:00:32 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE