2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide

C16H10F5N3OS — CID 56847746

IUPAC2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C16H10F5N3OS/c1-24-10(7-12(23-24)16(19,20)21)11-5-6-13(26-11)22-15(25)14-8(17)3-2-4-9(14)18/h2-7H,1H3,(H,22,25)
InChIKeyDIWRKGVGTYTLDY-UHFFFAOYSA-N
MW387.33 g/mol
LogP4.70
Rot. Bonds3

About 2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide

2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide (PubChem CID 56847746) has the molecular formula C16H10F5N3OS and a molecular weight of 387.33 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide
PubChem CID56847746
Molecular FormulaC16H10F5N3OS
Molecular Weight387.33 g/mol
Exact Mass387.05
IUPAC Name2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C16H10F5N3OS/c1-24-10(7-12(23-24)16(19,20)21)11-5-6-13(26-11)22-15(25)14-8(17)3-2-4-9(14)18/h2-7H,1H3,(H,22,25)
InChIKeyDIWRKGVGTYTLDY-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-1-(5-((2-aminopropanamido)methyl)thiophen-2-yl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25218479
Thiophene-2-carboxamide, 5-(3-trifluoromethyl-1-methyl-5-pyrazolyl)-N-methyl-
CID 621265
Thiophene-2-carboxamide, 5-(5-trifluoromethyl-1-methyl-3-pyrazolyl)-N,N-dimethyl-
CID 621268
CB2 Inhibitor, 2
CID 16376054
Pyrazole scaffold, 10b
CID 25218478
Pyrazole scaffold, 10d
CID 25218480
N-hydroxy-5-(1-phenethyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 11723098
N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 2808477
N2,N2-dimethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-carboxamide
CID 2819922
N-{2-[butyl(methyl)amino]ethyl}-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 20857612
2-(((5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1222102
N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide
CID 2819932

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide (CID 56847746) is 2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide is Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1.
What is the InChIKey of 2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide?
The InChIKey is DIWRKGVGTYTLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5N3OS/c1-24-10(7-12(23-24)16(19,20)21)11-5-6-13(26-11)22-15(25)14-8(17)3-2-4-9(14)18/h2-7H,1H3,(H,22,25).
What are the key properties of 2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide?
2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide has a molecular weight of 387.33 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide is sourced from PubChem (CID 56847746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).