4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide

C22H24N4O5 — CID 95747745

IUPAC4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)Nc3c(C(=O)N(C)C)nn(C)c3C)o2)cc1
InChIInChI=1S/C22H24N4O5/c1-13-19(20(24-26(13)5)22(29)25(3)4)23-21(28)18-11-10-17(31-18)12-30-16-8-6-15(7-9-16)14(2)27/h6-11H,12H2,1-5H3,(H,23,28)
InChIKeyYRNCGLDAELEAKZ-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.06
Rot. Bonds7

About 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide

4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide (PubChem CID 95747745) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
PubChem CID95747745
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCC(=O)c1ccc(OCc2ccc(C(=O)Nc3c(C(=O)N(C)C)nn(C)c3C)o2)cc1
InChIInChI=1S/C22H24N4O5/c1-13-19(20(24-26(13)5)22(29)25(3)4)23-21(28)18-11-10-17(31-18)12-30-16-8-6-15(7-9-16)14(2)27/h6-11H,12H2,1-5H3,(H,23,28)
InChIKeyYRNCGLDAELEAKZ-UHFFFAOYSA-N
XLogP3.06
TPSA106.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide with MolForge

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Related Compounds

4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747738
4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19339915
methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748102
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
5-[(4-acetylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455200
ethyl 5-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19455347
5-[(4-acetylphenoxy)methyl]-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19282070
5-[(4-acetylphenoxy)methyl]-N-(1-benzyl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 19455327
5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19283760
5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide
CID 95755086
5-[(4-acetylphenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19283169
5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide
CID 19455249

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide (CID 95747745) is 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide is CC(=O)c1ccc(OCc2ccc(C(=O)Nc3c(C(=O)N(C)C)nn(C)c3C)o2)cc1.
What is the InChIKey of 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The InChIKey is YRNCGLDAELEAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-13-19(20(24-26(13)5)22(29)25(3)4)23-21(28)18-11-10-17(31-18)12-30-16-8-6-15(7-9-16)14(2)27/h6-11H,12H2,1-5H3,(H,23,28).
What are the key properties of 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide is sourced from PubChem (CID 95747745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).