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

C25H23N3O4 — CID 19284879

IUPAC5-[(4-acetylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccn(Cc4ccccc4C)n3)o2)cc1
InChIInChI=1S/C25H23N3O4/c1-17-5-3-4-6-20(17)15-28-14-13-24(27-28)26-25(30)23-12-11-22(32-23)16-31-21-9-7-19(8-10-21)18(2)29/h3-14H,15-16H2,1-2H3,(H,26,27,30)
InChIKeyDZMZWOIMGPISTP-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.87
Rot. Bonds8

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

5-[(4-acetylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 19284879) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
PubChem CID19284879
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name5-[(4-acetylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccn(Cc4ccccc4C)n3)o2)cc1
InChIInChI=1S/C25H23N3O4/c1-17-5-3-4-6-20(17)15-28-14-13-24(27-28)26-25(30)23-12-11-22(32-23)16-31-21-9-7-19(8-10-21)18(2)29/h3-14H,15-16H2,1-2H3,(H,26,27,30)
InChIKeyDZMZWOIMGPISTP-UHFFFAOYSA-N
XLogP4.87
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19450765
5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19283760
methyl 4-[[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19285444
N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19284791
5-[(4-fluorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 4076935
5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19284882
4-[(4-fluorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284891
5-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19284570
N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19286166
5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 19455327
5-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19452491
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-acetylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (CID 19284879) is 5-[(4-acetylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is CC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccn(Cc4ccccc4C)n3)o2)cc1.
What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is DZMZWOIMGPISTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17-5-3-4-6-20(17)15-28-14-13-24(27-28)26-25(30)23-12-11-22(32-23)16-31-21-9-7-19(8-10-21)18(2)29/h3-14H,15-16H2,1-2H3,(H,26,27,30).
What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
5-[(4-acetylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 19284879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).