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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H12N2O
Molecular Weight 188.2258
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-BENZYL-3-METHYL-2-PYRAZOLIN-5-ONE

SMILES

CC1=NN(CC2=CC=CC=C2)C(O)=C1

InChI

InChIKey=FQSMUDOPPUNPDW-UHFFFAOYSA-N
InChI=1S/C11H12N2O/c1-9-7-11(14)13(12-9)8-10-5-3-2-4-6-10/h2-7,14H,8H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
2-PYRAZOLIN-5-ONE, 1-BENZYL-3-METHYL-
Preferred Name English
1-BENZYL-3-METHYL-2-PYRAZOLIN-5-ONE
Systematic Name English
1H-PYRAZOL-5-OL, 3-METHYL-1-(PHENYLMETHYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50241547
Created by admin on Tue Apr 01 18:49:45 GMT 2025 , Edited by admin on Tue Apr 01 18:49:45 GMT 2025
PRIMARY
CAS
946-23-6
Created by admin on Tue Apr 01 18:49:45 GMT 2025 , Edited by admin on Tue Apr 01 18:49:45 GMT 2025
PRIMARY
PUBCHEM
70349
Created by admin on Tue Apr 01 18:49:45 GMT 2025 , Edited by admin on Tue Apr 01 18:49:45 GMT 2025
PRIMARY
ECHA (EC/EINECS)
213-416-4
Created by admin on Tue Apr 01 18:49:45 GMT 2025 , Edited by admin on Tue Apr 01 18:49:45 GMT 2025
PRIMARY
CAS
946-24-7
Created by admin on Tue Apr 01 18:49:45 GMT 2025 , Edited by admin on Tue Apr 01 18:49:45 GMT 2025
ALTERNATIVE
FDA UNII
5FY2G0M9SN
Created by admin on Tue Apr 01 18:49:45 GMT 2025 , Edited by admin on Tue Apr 01 18:49:45 GMT 2025
PRIMARY