5-pyridin-2-yl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide

C24H15F3N4OS2 — CID 2811542

IUPAC5-pyridin-2-yl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C24H15F3N4OS2/c25-24(26,27)22-14-18(20-5-3-13-33-20)31(30-22)16-8-6-15(7-9-16)29-23(32)21-11-10-19(34-21)17-4-1-2-12-28-17/h1-14H,(H,29,32)
InChIKeyFVNUZZYBXQCYSV-UHFFFAOYSA-N
MW496.54 g/mol
LogP7.00
Rot. Bonds5

About 5-pyridin-2-yl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide

5-pyridin-2-yl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide (PubChem CID 2811542) has the molecular formula C24H15F3N4OS2 and a molecular weight of 496.54 g/mol. Its IUPAC name is 5-pyridin-2-yl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-pyridin-2-yl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide
PubChem CID2811542
Molecular FormulaC24H15F3N4OS2
Molecular Weight496.54 g/mol
Exact Mass496.06
IUPAC Name5-pyridin-2-yl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C24H15F3N4OS2/c25-24(26,27)22-14-18(20-5-3-13-33-20)31(30-22)16-8-6-15(7-9-16)29-23(32)21-11-10-19(34-21)17-4-1-2-12-28-17/h1-14H,(H,29,32)
InChIKeyFVNUZZYBXQCYSV-UHFFFAOYSA-N
XLogP7.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.54
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-pyridin-2-yl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide (CID 2811542) is 5-pyridin-2-yl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-pyridin-2-yl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-pyridin-2-yl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)c1ccc(-c2ccccn2)s1.
What is the InChIKey of 5-pyridin-2-yl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is FVNUZZYBXQCYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4OS2/c25-24(26,27)22-14-18(20-5-3-13-33-20)31(30-22)16-8-6-15(7-9-16)29-23(32)21-11-10-19(34-21)17-4-1-2-12-28-17/h1-14H,(H,29,32).
What are the key properties of 5-pyridin-2-yl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide?
5-pyridin-2-yl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 496.54 g/mol, XLogP of 7.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2811542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).