N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-thiophen-2-ylacetamide

C17H11F6N3OS — CID 10202199

IUPACN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C17H11F6N3OS/c18-16(19,20)13-9-14(17(21,22)23)26(25-13)11-5-3-10(4-6-11)24-15(27)8-12-2-1-7-28-12/h1-7,9H,8H2,(H,24,27)
InChIKeyUVHYJPQCELBRLO-UHFFFAOYSA-N
MW419.35 g/mol
LogP5.15
Rot. Bonds4

About N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-thiophen-2-ylacetamide

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 10202199) has the molecular formula C17H11F6N3OS and a molecular weight of 419.35 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-thiophen-2-ylacetamide
PubChem CID10202199
Molecular FormulaC17H11F6N3OS
Molecular Weight419.35 g/mol
Exact Mass419.05
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C17H11F6N3OS/c18-16(19,20)13-9-14(17(21,22)23)26(25-13)11-5-3-10(4-6-11)24-15(27)8-12-2-1-7-28-12/h1-7,9H,8H2,(H,24,27)
InChIKeyUVHYJPQCELBRLO-UHFFFAOYSA-N
XLogP5.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.35
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 5298288
N2-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}thiophene-2-carboxamide
CID 2809248
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide
CID 653560
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide
CID 5309163
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide
CID 3801312
4-amino-N-(2-fluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 68062204
N-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 164617268
1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(thiophen-2-yl)ethan-1-one
CID 802192
4-amino-N-(2,6-difluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 68062209
N-(5-ethyl-1-phenylpyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 46106899
4-fluoro-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
CID 2811545
4-methyl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
CID 2811548

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-thiophen-2-ylacetamide (CID 10202199) is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is UVHYJPQCELBRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N3OS/c18-16(19,20)13-9-14(17(21,22)23)26(25-13)11-5-3-10(4-6-11)24-15(27)8-12-2-1-7-28-12/h1-7,9H,8H2,(H,24,27).
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-thiophen-2-ylacetamide?
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 419.35 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 10202199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).