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

C20H22N4O4 — CID 95755086

IUPAC5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)Nc3cc(CN(C)C)[nH]n3)o2)cc1
InChIInChI=1S/C20H22N4O4/c1-13(25)14-4-6-16(7-5-14)27-12-17-8-9-18(28-17)20(26)21-19-10-15(22-23-19)11-24(2)3/h4-10H,11-12H2,1-3H3,(H2,21,22,23,26)
InChIKeyFSGARPHFTKZXRZ-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.10
Rot. Bonds8

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

5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide (PubChem CID 95755086) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide
PubChem CID95755086
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)Nc3cc(CN(C)C)[nH]n3)o2)cc1
InChIInChI=1S/C20H22N4O4/c1-13(25)14-4-6-16(7-5-14)27-12-17-8-9-18(28-17)20(26)21-19-10-15(22-23-19)11-24(2)3/h4-10H,11-12H2,1-3H3,(H2,21,22,23,26)
InChIKeyFSGARPHFTKZXRZ-UHFFFAOYSA-N
XLogP3.10
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide
CID 95755081
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
5-[(4-acetylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455200
5-[(4-acetylphenoxy)methyl]-N-(2,3-dihydro-1H-inden-5-yl)furan-2-carboxamide
CID 35526440
5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19283760
5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide
CID 19455249
4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747745
4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19339915
5-[(4-acetylphenoxy)methyl]-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 35529765
5-[(4-propan-2-ylphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 95752870
5-[(4-acetylphenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
CID 19455175
N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 53054149

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide (CID 95755086) is 5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide is CC(=O)c1ccc(OCc2ccc(C(=O)Nc3cc(CN(C)C)[nH]n3)o2)cc1.
What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is FSGARPHFTKZXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-13(25)14-4-6-16(7-5-14)27-12-17-8-9-18(28-17)20(26)21-19-10-15(22-23-19)11-24(2)3/h4-10H,11-12H2,1-3H3,(H2,21,22,23,26).
What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide?
5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 95755086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).