U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H12N4O
Molecular Weight 276.2927
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile

SMILES

NC1=C(C#N)C(=NN1)C2=CC=C(OC3=CC=CC=C3)C=C2

InChI

InChIKey=HNIMEQCLCNSCGH-UHFFFAOYSA-N
InChI=1S/C16H12N4O/c17-10-14-15(19-20-16(14)18)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9H,(H3,18,19,20)

HIDE SMILES / InChI

Molecular Formula C16H12N4O
Molecular Weight 276.2927
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 19:59:13 GMT 2023
Edited
by admin
on Sat Dec 16 19:59:13 GMT 2023
Record UNII
FYB4U6YMR3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
Systematic Name English
5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
Systematic Name English
1H-Pyrazole-4-carbonitrile, 3-amino-5-(4-phenoxyphenyl)-
Systematic Name English
3-Amino-4-cyano-5-(4-phenoxyphenyl)pyrazole
Systematic Name English
Code System Code Type Description
FDA UNII
FYB4U6YMR3
Created by admin on Sat Dec 16 19:59:13 GMT 2023 , Edited by admin on Sat Dec 16 19:59:13 GMT 2023
PRIMARY
PUBCHEM
22346784
Created by admin on Sat Dec 16 19:59:13 GMT 2023 , Edited by admin on Sat Dec 16 19:59:13 GMT 2023
PRIMARY
CAS
330792-70-6
Created by admin on Sat Dec 16 19:59:13 GMT 2023 , Edited by admin on Sat Dec 16 19:59:13 GMT 2023
PRIMARY