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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H18N2O4
Molecular Weight 290.3144
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-PYRAZOLE-4-PROPANOIC ACID, 3-ETHOXY-1-((4-HYDROXYPHENYL)METHYL)-

SMILES

CCOC1=NN(CC2=CC=C(O)C=C2)C=C1CCC(O)=O

InChI

InChIKey=WPLGCUSQVAOKNJ-UHFFFAOYSA-N
InChI=1S/C15H18N2O4/c1-2-21-15-12(5-8-14(19)20)10-17(16-15)9-11-3-6-13(18)7-4-11/h3-4,6-7,10,18H,2,5,8-9H2,1H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C15H18N2O4
Molecular Weight 290.3144
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
7JDJ9U54XV
Record Status Validated (UNII)
Record Version