5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

C18H14F5N3O2 — CID 19467906

IUPAC5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1
InChIInChI=1S/C18H14F5N3O2/c19-11-3-1-10(2-4-11)8-24-18(27)15-6-5-12(28-15)9-26-14(17(22)23)7-13(25-26)16(20)21/h1-7,16-17H,8-9H2,(H,24,27)
InChIKeyWEHSTVHPVUSBQU-UHFFFAOYSA-N
MW399.32 g/mol
LogP4.47
Rot. Bonds7

About 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 19467906) has the molecular formula C18H14F5N3O2 and a molecular weight of 399.32 g/mol. Its IUPAC name is 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
PubChem CID19467906
Molecular FormulaC18H14F5N3O2
Molecular Weight399.32 g/mol
Exact Mass399.10
IUPAC Name5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1
InChIInChI=1S/C18H14F5N3O2/c19-11-3-1-10(2-4-11)8-24-18(27)15-6-5-12(28-15)9-26-14(17(22)23)7-13(25-26)16(20)21/h1-7,16-17H,8-9H2,(H,24,27)
InChIKeyWEHSTVHPVUSBQU-UHFFFAOYSA-N
XLogP4.47
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2-methoxyethyl)furan-2-carboxamide
CID 19468113
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
CID 19467889
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-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19468090
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-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 19468164
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-[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-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19468136
5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 35334164

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (CID 19467906) is 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1.
What is the InChIKey of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The InChIKey is WEHSTVHPVUSBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F5N3O2/c19-11-3-1-10(2-4-11)8-24-18(27)15-6-5-12(28-15)9-26-14(17(22)23)7-13(25-26)16(20)21/h1-7,16-17H,8-9H2,(H,24,27).
What are the key properties of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide has a molecular weight of 399.32 g/mol, XLogP of 4.47, 7 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-[(4-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19467906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).