1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide

C21H19F3N4O3S — CID 130286593

IUPAC1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide
SMILESO=C(Nc1cc(-c2cccc(OC(F)(F)F)c2)n(-c2ccccc2)n1)C1CCS(=O)NC1
InChIInChI=1S/C21H19F3N4O3S/c22-21(23,24)31-17-8-4-5-14(11-17)18-12-19(27-28(18)16-6-2-1-3-7-16)26-20(29)15-9-10-32(30)25-13-15/h1-8,11-12,15,25H,9-10,13H2,(H,26,27,29)
InChIKeyNRHMGLWROFGFBX-UHFFFAOYSA-N
MW464.47 g/mol
LogP3.65
Rot. Bonds5

About 1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide

1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide (PubChem CID 130286593) has the molecular formula C21H19F3N4O3S and a molecular weight of 464.47 g/mol. Its IUPAC name is 1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide.

Molecular Properties

Compound Name1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide
PubChem CID130286593
Molecular FormulaC21H19F3N4O3S
Molecular Weight464.47 g/mol
Exact Mass464.11
IUPAC Name1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide
SMILESO=C(Nc1cc(-c2cccc(OC(F)(F)F)c2)n(-c2ccccc2)n1)C1CCS(=O)NC1
InChIInChI=1S/C21H19F3N4O3S/c22-21(23,24)31-17-8-4-5-14(11-17)18-12-19(27-28(18)16-6-2-1-3-7-16)26-20(29)15-9-10-32(30)25-13-15/h1-8,11-12,15,25H,9-10,13H2,(H,26,27,29)
InChIKeyNRHMGLWROFGFBX-UHFFFAOYSA-N
XLogP3.65
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 162540510
N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide
CID 89476909
(3S)-N-[1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476956
(3R)-N-[1-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 90657003
(3R)-5-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 90657001
N-[1-[(4R)-4,5-dimethylpyrrolidin-3-yl]ethenyl]-1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine
CID 139397556
(3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476932
1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine;(3R,4R)-N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-4-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 158410213
(3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476715
(3S)-N-[5-[3-chloro-5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]phenyl]-1-phenylpyrazol-3-yl]pyrrolidine-3-carboxamide
CID 161108542
(2R)-5-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 89476634
(3R,4R)-N-[5-[3-[1,1-bis(phosphanyl)ethoxy]phenyl]-1-(3-phosphanylphenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 170052467

Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide?
The IUPAC name of 1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide (CID 130286593) is 1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide.
What is the SMILES notation for 1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide?
The canonical SMILES for 1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide is O=C(Nc1cc(-c2cccc(OC(F)(F)F)c2)n(-c2ccccc2)n1)C1CCS(=O)NC1.
What is the InChIKey of 1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide?
The InChIKey is NRHMGLWROFGFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3S/c22-21(23,24)31-17-8-4-5-14(11-17)18-12-19(27-28(18)16-6-2-1-3-7-16)26-20(29)15-9-10-32(30)25-13-15/h1-8,11-12,15,25H,9-10,13H2,(H,26,27,29).
What are the key properties of 1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide?
1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide has a molecular weight of 464.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide is sourced from PubChem (CID 130286593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).