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

C22H24N4O5 — CID 19339915

IUPAC4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2ccc(COc3ccc(C(C)=O)cc3)o2)c1C(=O)N(C)C
InChIInChI=1S/C22H24N4O5/c1-5-26-20(22(29)25(3)4)18(12-23-26)24-21(28)19-11-10-17(31-19)13-30-16-8-6-15(7-9-16)14(2)27/h6-12H,5,13H2,1-4H3,(H,24,28)
InChIKeySLZPJTDYIDKSBO-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.23
Rot. Bonds8

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

4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide (PubChem CID 19339915) 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]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
PubChem CID19339915
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2ccc(COc3ccc(C(C)=O)cc3)o2)c1C(=O)N(C)C
InChIInChI=1S/C22H24N4O5/c1-5-26-20(22(29)25(3)4)18(12-23-26)24-21(28)19-11-10-17(31-19)13-30-16-8-6-15(7-9-16)14(2)27/h6-12H,5,13H2,1-4H3,(H,24,28)
InChIKeySLZPJTDYIDKSBO-UHFFFAOYSA-N
XLogP3.23
TPSA106.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19584630
4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19453358
5-[(4-acetylphenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19340351
4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747745
ethyl 5-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19455347
5-[(4-acetylphenoxy)methyl]-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 35529765
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-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide
CID 19451030
5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide
CID 19455249
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19323062
5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide
CID 95755086

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide (CID 19339915) is 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide is CCn1ncc(NC(=O)c2ccc(COc3ccc(C(C)=O)cc3)o2)c1C(=O)N(C)C.
What is the InChIKey of 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The InChIKey is SLZPJTDYIDKSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-5-26-20(22(29)25(3)4)18(12-23-26)24-21(28)19-11-10-17(31-19)13-30-16-8-6-15(7-9-16)14(2)27/h6-12H,5,13H2,1-4H3,(H,24,28).
What are the key properties of 4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.23, 8 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]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19339915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).