H1F

5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide

Created:	2020-10-20
Last modified:	2021-10-20

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1 entries where H1F is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	1
Bond Count	49
Aromatic Bond Count	12

2D diagram of H1F

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Chemical Component Summary
Name	5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide
Systematic Name (OpenEye OEToolkits)	5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide
Formula	C₁₉ H₂₁ N₃ O₃ S
Molecular Weight	371.453
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cc(cc(OC)c1OC)[CH]2CC(=NN2C(N)=S)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(cc(c1OC)OC)C2CC(=NN2C(=S)N)c3ccccc3
Canonical SMILES	CACTVS	3.385	COc1cc(cc(OC)c1OC)[C@@H]2CC(=NN2C(N)=S)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1cc(cc(c1OC)OC)C2CC(=NN2C(=S)N)c3ccccc3
InChI	InChI	1.03	InChI=1S/C19H21N3O3S/c1-23-16-9-13(10-17(24-2)18(16)25-3)15-11-14(21-22(15)19(20)26)12-7-5-4-6-8-12/h4-10,15H,11H2,1-3H3,(H2,20,26)
InChIKey	InChI	1.03	GONIBFCARADPAC-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.