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Details

Stereochemistry RACEMIC
Molecular Formula C8H11N3O2
Molecular Weight 181.1918
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-Dihydro-5-hydroxy-3,5-dimethyl-?-oxo-1H-pyrazole-1-propanenitrile

SMILES

CC1=NN(C(=O)CC#N)C(C)(O)C1

InChI

InChIKey=BVFSLFOIPSKCJW-UHFFFAOYSA-N
InChI=1S/C8H11N3O2/c1-6-5-8(2,13)11(10-6)7(12)3-4-9/h13H,3,5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H11N3O2
Molecular Weight 181.1918
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:06:43 GMT 2025
Edited
by admin
on Wed Apr 02 20:06:43 GMT 2025
Record UNII
9PK5L5D44Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-Pyrazol-5-ol, 1-(cyanoacetyl)-4,5-dihydro-3,5-dimethyl-
Preferred Name English
4,5-Dihydro-5-hydroxy-3,5-dimethyl-?-oxo-1H-pyrazole-1-propanenitrile
Systematic Name English
1H-Pyrazole-1-propanenitrile, 4,5-dihydro-5-hydroxy-3,5-dimethyl-?-oxo-
Systematic Name English
Code System Code Type Description
FDA UNII
9PK5L5D44Y
Created by admin on Wed Apr 02 20:06:43 GMT 2025 , Edited by admin on Wed Apr 02 20:06:43 GMT 2025
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CAS
74102-38-8
Created by admin on Wed Apr 02 20:06:43 GMT 2025 , Edited by admin on Wed Apr 02 20:06:43 GMT 2025
PRIMARY
PUBCHEM
12554267
Created by admin on Wed Apr 02 20:06:43 GMT 2025 , Edited by admin on Wed Apr 02 20:06:43 GMT 2025
PRIMARY