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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9N5
Molecular Weight 223.2334
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-AMINO-4-CYANO-3-CYANOMETHYL-1-PHENYLPYRAZOLE

SMILES

NC1=C(C#N)C(CC#N)=NN1C2=CC=CC=C2

InChI

InChIKey=GUHSDYKJSKLWJF-UHFFFAOYSA-N
InChI=1S/C12H9N5/c13-7-6-11-10(8-14)12(15)17(16-11)9-4-2-1-3-5-9/h1-5H,6,15H2

HIDE SMILES / InChI

Molecular Formula C12H9N5
Molecular Weight 223.2334
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 19:33:20 GMT 2025
Edited
by admin
on Tue Apr 01 19:33:20 GMT 2025
Record UNII
2C59BX2079
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-22494
Preferred Name English
5-AMINO-4-CYANO-3-CYANOMETHYL-1-PHENYLPYRAZOLE
Systematic Name English
5-AMINO-4-CYANO-1-PHENYL-1H-PYRAZOLE-3-ACETONITRILE
Systematic Name English
PYRAZOLE-3-ACETONITRILE, 5-AMINO-4-CYANO-1-PHENYL-
Systematic Name English
1H-PYRAZOLE-3-ACETONITRILE, 5-AMINO-4-CYANO-1-PHENYL-
Systematic Name English
Code System Code Type Description
CAS
7152-40-1
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
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NSC
22494
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
PRIMARY
ECHA (EC/EINECS)
230-496-6
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
PRIMARY
PUBCHEM
81585
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
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EPA CompTox
DTXSID60221759
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
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FDA UNII
2C59BX2079
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
PRIMARY