5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide

C17H9F8N3O2 — CID 19467889

IUPAC5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1
InChIInChI=1S/C17H9F8N3O2/c18-7-3-8(19)13(21)14(12(7)20)26-17(29)11-2-1-6(30-11)5-28-10(16(24)25)4-9(27-28)15(22)23/h1-4,15-16H,5H2,(H,26,29)
InChIKeyUACGJOPYKAPBKG-UHFFFAOYSA-N
MW439.26 g/mol
LogP5.21
Rot. Bonds6

About 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide

5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide (PubChem CID 19467889) has the molecular formula C17H9F8N3O2 and a molecular weight of 439.26 g/mol. Its IUPAC name is 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
PubChem CID19467889
Molecular FormulaC17H9F8N3O2
Molecular Weight439.26 g/mol
Exact Mass439.06
IUPAC Name5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1
InChIInChI=1S/C17H9F8N3O2/c18-7-3-8(19)13(21)14(12(7)20)26-17(29)11-2-1-6(30-11)5-28-10(16(24)25)4-9(27-28)15(22)23/h1-4,15-16H,5H2,(H,26,29)
InChIKeyUACGJOPYKAPBKG-UHFFFAOYSA-N
XLogP5.21
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.26
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid
CID 17024853
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 19467906
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19467994
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(5-bromo-2-pyridinyl)furan-2-carboxamide
CID 19467904
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19468113
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide
CID 19468147
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19468072
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19468086
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 19468164
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19468136
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19468085
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19468102

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide (CID 19467889) is 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide is O=C(Nc1c(F)c(F)cc(F)c1F)c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1.
What is the InChIKey of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide?
The InChIKey is UACGJOPYKAPBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F8N3O2/c18-7-3-8(19)13(21)14(12(7)20)26-17(29)11-2-1-6(30-11)5-28-10(16(24)25)4-9(27-28)15(22)23/h1-4,15-16H,5H2,(H,26,29).
What are the key properties of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide?
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide has a molecular weight of 439.26 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 19467889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).