5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide

C18H15ClF3N3OS — CID 46104506

IUPAC5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1-c1ccc(Cl)s1
InChIInChI=1S/C18H15ClF3N3OS/c1-2-25-14(15-6-7-16(19)27-15)9-13(24-25)17(26)23-10-11-4-3-5-12(8-11)18(20,21)22/h3-9H,2,10H2,1H3,(H,23,26)
InChIKeyNIVRSVGFLUGBRP-UHFFFAOYSA-N
MW413.85 g/mol
LogP5.23
Rot. Bonds5

About 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 46104506) has the molecular formula C18H15ClF3N3OS and a molecular weight of 413.85 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID46104506
Molecular FormulaC18H15ClF3N3OS
Molecular Weight413.85 g/mol
Exact Mass413.06
IUPAC Name5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1-c1ccc(Cl)s1
InChIInChI=1S/C18H15ClF3N3OS/c1-2-25-14(15-6-7-16(19)27-15)9-13(24-25)17(26)23-10-11-4-3-5-12(8-11)18(20,21)22/h3-9H,2,10H2,1H3,(H,23,26)
InChIKeyNIVRSVGFLUGBRP-UHFFFAOYSA-N
XLogP5.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.85
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 46104502
5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 46104522
1,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35763919
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796480
2-[4-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799413
5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 110336625
2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 159159618
N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 46104689
N-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796025
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 46104727
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide (CID 46104506) is 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1-c1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is NIVRSVGFLUGBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3OS/c1-2-25-14(15-6-7-16(19)27-15)9-13(24-25)17(26)23-10-11-4-3-5-12(8-11)18(20,21)22/h3-9H,2,10H2,1H3,(H,23,26).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 413.85 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 46104506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).