5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide

C21H21F3N4OS — CID 74226495

IUPAC5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccccc2N2CCCCC2)s1
InChIInChI=1S/C21H21F3N4OS/c1-27-16(13-19(26-27)21(22,23)24)17-9-10-18(30-17)20(29)25-14-7-3-4-8-15(14)28-11-5-2-6-12-28/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,25,29)
InChIKeyUZSSCAHSKGRZLT-UHFFFAOYSA-N
MW434.49 g/mol
LogP5.41
Rot. Bonds4

About 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide

5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide (PubChem CID 74226495) has the molecular formula C21H21F3N4OS and a molecular weight of 434.49 g/mol. Its IUPAC name is 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
PubChem CID74226495
Molecular FormulaC21H21F3N4OS
Molecular Weight434.49 g/mol
Exact Mass434.14
IUPAC Name5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccccc2N2CCCCC2)s1
InChIInChI=1S/C21H21F3N4OS/c1-27-16(13-19(26-27)21(22,23)24)17-9-10-18(30-17)20(29)25-14-7-3-4-8-15(14)28-11-5-2-6-12-28/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,25,29)
InChIKeyUZSSCAHSKGRZLT-UHFFFAOYSA-N
XLogP5.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-prop-2-ynylthiophene-2-carboxamide
CID 3859816
5-acetyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 11255926
4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 37172802
N-[2-(azepan-1-yl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 71881060
N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33171812
5-phenyl-N-(2-piperidin-1-ylphenyl)thiophene-3-carboxamide
CID 126661345
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 116861950
propan-2-yl 4-methylsulfanyl-2-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carbonyl]amino]butanoate
CID 3670358
2,2-difluoro-N-(2-piperidin-1-ylphenyl)acetamide
CID 103600704
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
N-(2-pyrrolidin-1-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17313981

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide (CID 74226495) is 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide is Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccccc2N2CCCCC2)s1.
What is the InChIKey of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide?
The InChIKey is UZSSCAHSKGRZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4OS/c1-27-16(13-19(26-27)21(22,23)24)17-9-10-18(30-17)20(29)25-14-7-3-4-8-15(14)28-11-5-2-6-12-28/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,25,29).
What are the key properties of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide?
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide has a molecular weight of 434.49 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 74226495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).