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

C22H17F2N3O3 — CID 4076935

IUPAC5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2F)n1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C22H17F2N3O3/c23-16-5-7-17(8-6-16)29-14-18-9-10-20(30-18)22(28)25-21-11-12-27(26-21)13-15-3-1-2-4-19(15)24/h1-12H,13-14H2,(H,25,26,28)
InChIKeyWYACSFHGHXDCJV-UHFFFAOYSA-N
MW409.39 g/mol
LogP4.63
Rot. Bonds7

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

5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 4076935) has the molecular formula C22H17F2N3O3 and a molecular weight of 409.39 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
PubChem CID4076935
Molecular FormulaC22H17F2N3O3
Molecular Weight409.39 g/mol
Exact Mass409.12
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2F)n1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C22H17F2N3O3/c23-16-5-7-17(8-6-16)29-14-18-9-10-20(30-18)22(28)25-21-11-12-27(26-21)13-15-3-1-2-4-19(15)24/h1-12H,13-14H2,(H,25,26,28)
InChIKeyWYACSFHGHXDCJV-UHFFFAOYSA-N
XLogP4.63
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19285971
N-[1-(cyanomethyl)pyrazol-3-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 95754706
5-[(4-acetylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19284879
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19402963
5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19450765
methyl 4-[[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19285444
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19285000
5-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19284570
5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19286546
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19402900
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19285453
5-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19403152

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (CID 4076935) is 5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is O=C(Nc1ccn(Cc2ccccc2F)n1)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is WYACSFHGHXDCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O3/c23-16-5-7-17(8-6-16)29-14-18-9-10-20(30-18)22(28)25-21-11-12-27(26-21)13-15-3-1-2-4-19(15)24/h1-12H,13-14H2,(H,25,26,28).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 409.39 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 4076935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).