N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide

C18H15F3N4O3S — CID 122161523

IUPACN-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
SMILESO=C(NCC(c1ccsc1)n1cccn1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N4O3S/c19-18(20,21)28-14-4-2-13(3-5-14)24-17(27)16(26)22-10-15(12-6-9-29-11-12)25-8-1-7-23-25/h1-9,11,15H,10H2,(H,22,26)(H,24,27)
InChIKeyOUEWQSIYNDQJGG-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.19
Rot. Bonds6

About N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide

N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide (PubChem CID 122161523) has the molecular formula C18H15F3N4O3S and a molecular weight of 424.40 g/mol. Its IUPAC name is N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
PubChem CID122161523
Molecular FormulaC18H15F3N4O3S
Molecular Weight424.40 g/mol
Exact Mass424.08
IUPAC NameN-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
SMILESO=C(NCC(c1ccsc1)n1cccn1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N4O3S/c19-18(20,21)28-14-4-2-13(3-5-14)24-17(27)16(26)22-10-15(12-6-9-29-11-12)25-8-1-7-23-25/h1-9,11,15H,10H2,(H,22,26)(H,24,27)
InChIKeyOUEWQSIYNDQJGG-UHFFFAOYSA-N
XLogP3.19
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 16932665
N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 90584171
N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 126852191
(3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 92708068
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide
CID 126852802
N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 42264288
2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
CID 122161450
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 90496691
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95986776
N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95368340
4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide
CID 126852795
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide (CID 122161523) is N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide.
What is the SMILES notation for N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The canonical SMILES for N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide is O=C(NCC(c1ccsc1)n1cccn1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The InChIKey is OUEWQSIYNDQJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S/c19-18(20,21)28-14-4-2-13(3-5-14)24-17(27)16(26)22-10-15(12-6-9-29-11-12)25-8-1-7-23-25/h1-9,11,15H,10H2,(H,22,26)(H,24,27).
What are the key properties of N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide?
N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide has a molecular weight of 424.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide is sourced from PubChem (CID 122161523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).