N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide

C19H17F3N4O2S — CID 155801253

IUPACN-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCn1cc(-c2ccc(CCNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)s2)cn1
InChIInChI=1S/C19H17F3N4O2S/c1-26-11-12(10-24-26)16-6-5-15(29-16)7-8-23-17(27)18(28)25-14-4-2-3-13(9-14)19(20,21)22/h2-6,9-11H,7-8H2,1H3,(H,23,27)(H,25,28)
InChIKeyCFOQVVFQLNMPAJ-UHFFFAOYSA-N
MW422.43 g/mol
LogP3.46
Rot. Bonds5

About N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide

N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 155801253) has the molecular formula C19H17F3N4O2S and a molecular weight of 422.43 g/mol. Its IUPAC name is N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID155801253
Molecular FormulaC19H17F3N4O2S
Molecular Weight422.43 g/mol
Exact Mass422.10
IUPAC NameN-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCn1cc(-c2ccc(CCNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)s2)cn1
InChIInChI=1S/C19H17F3N4O2S/c1-26-11-12(10-24-26)16-6-5-15(29-16)7-8-23-17(27)18(28)25-14-4-2-3-13(9-14)19(20,21)22/h2-6,9-11H,7-8H2,1H3,(H,23,27)(H,25,28)
InChIKeyCFOQVVFQLNMPAJ-UHFFFAOYSA-N
XLogP3.46
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501365
1-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]oxadiazol-3-ium-5-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 170547105
N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 3114001
1-[4-[4-(1-methylpyrazol-4-yl)-1-oxophthalazin-2-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 162651152
N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 4583432
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501437
N-(3,3-diethoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 172894057
4-[(1-methylpyrazol-4-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 19293574
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 155801253) is N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide is Cn1cc(-c2ccc(CCNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)s2)cn1.
What is the InChIKey of N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is CFOQVVFQLNMPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2S/c1-26-11-12(10-24-26)16-6-5-15(29-16)7-8-23-17(27)18(28)25-14-4-2-3-13(9-14)19(20,21)22/h2-6,9-11H,7-8H2,1H3,(H,23,27)(H,25,28).
What are the key properties of N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 422.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 155801253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).