5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide

C17H9Cl2F6N3O2 — CID 164609384

IUPAC5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cn2nc(C(F)(F)F)cc2C(F)(F)F)o1
InChIInChI=1S/C17H9Cl2F6N3O2/c18-8-3-9(19)5-10(4-8)26-15(29)12-2-1-11(30-12)7-28-14(17(23,24)25)6-13(27-28)16(20,21)22/h1-6H,7H2,(H,26,29)
InChIKeyDWGABOLYIGHGTL-UHFFFAOYSA-N
MW472.17 g/mol
LogP6.12
Rot. Bonds4

About 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide

5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide (PubChem CID 164609384) has the molecular formula C17H9Cl2F6N3O2 and a molecular weight of 472.17 g/mol. Its IUPAC name is 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide
PubChem CID164609384
Molecular FormulaC17H9Cl2F6N3O2
Molecular Weight472.17 g/mol
Exact Mass471.00
IUPAC Name5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cn2nc(C(F)(F)F)cc2C(F)(F)F)o1
InChIInChI=1S/C17H9Cl2F6N3O2/c18-8-3-9(19)5-10(4-8)26-15(29)12-2-1-11(30-12)7-28-14(17(23,24)25)6-13(27-28)16(20,21)22/h1-6H,7H2,(H,26,29)
InChIKeyDWGABOLYIGHGTL-UHFFFAOYSA-N
XLogP6.12
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.17
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
N-(2-furylmethyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-furamide
CID 1091759
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)-2-furamide
CID 831746
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)-2-furamide
CID 994876
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-methylbenzyl)-2-furamide
CID 3240518
N-(2,4-dichlorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 4321455
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide
CID 19466078
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(methylamino)phenyl]furan-2-carboxamide
CID 164609494
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide
CID 164610044
5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-chloro-2-methylphenyl)furan-2-carboxamide
CID 164610942
5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(4-fluoro-3-methylphenyl)furan-2-carboxamide
CID 164612381

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide (CID 164609384) is 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cn2nc(C(F)(F)F)cc2C(F)(F)F)o1.
What is the InChIKey of 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide?
The InChIKey is DWGABOLYIGHGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F6N3O2/c18-8-3-9(19)5-10(4-8)26-15(29)12-2-1-11(30-12)7-28-14(17(23,24)25)6-13(27-28)16(20,21)22/h1-6H,7H2,(H,26,29).
What are the key properties of 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide?
5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide has a molecular weight of 472.17 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 164609384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).