5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide

C22H16Cl3N3O3 — CID 19345292

IUPAC5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C22H16Cl3N3O3/c23-15-6-5-14(18(25)11-15)12-28-10-9-21(27-28)26-22(29)20-8-7-16(31-20)13-30-19-4-2-1-3-17(19)24/h1-11H,12-13H2,(H,26,27,29)
InChIKeyHAZYYFGREPBCNV-UHFFFAOYSA-N
MW476.75 g/mol
LogP6.32
Rot. Bonds7

About 5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide

5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 19345292) has the molecular formula C22H16Cl3N3O3 and a molecular weight of 476.75 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
PubChem CID19345292
Molecular FormulaC22H16Cl3N3O3
Molecular Weight476.75 g/mol
Exact Mass475.03
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C22H16Cl3N3O3/c23-15-6-5-14(18(25)11-15)12-28-10-9-21(27-28)26-22(29)20-8-7-16(31-20)13-30-19-4-2-1-3-17(19)24/h1-11H,12-13H2,(H,26,27,29)
InChIKeyHAZYYFGREPBCNV-UHFFFAOYSA-N
XLogP6.32
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.75
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19402900
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide
CID 19402969
5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19284882
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19283666
5-[(2-chlorophenoxy)methyl]-N-[1-(cyanomethyl)pyrazol-3-yl]furan-2-carboxamide
CID 95754701
4-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19503134
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19285453
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 19392758
4-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443446
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19396828
5-[(2-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19458743
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19402963

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (CID 19345292) is 5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1ccc(COc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is HAZYYFGREPBCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3N3O3/c23-15-6-5-14(18(25)11-15)12-28-10-9-21(27-28)26-22(29)20-8-7-16(31-20)13-30-19-4-2-1-3-17(19)24/h1-11H,12-13H2,(H,26,27,29).
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 476.75 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 19345292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).