4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide

C22H26N4O4 — CID 19450675

IUPAC4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCCC(C)c1ccc(OCc2ccc(C(=O)Nc3cn(C)nc3C(=O)NC)o2)cc1
InChIInChI=1S/C22H26N4O4/c1-5-14(2)15-6-8-16(9-7-15)29-13-17-10-11-19(30-17)21(27)24-18-12-26(4)25-20(18)22(28)23-3/h6-12,14H,5,13H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyGDQXNLLIEATZPD-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.72
Rot. Bonds8

About 4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide

4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 19450675) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID19450675
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCCC(C)c1ccc(OCc2ccc(C(=O)Nc3cn(C)nc3C(=O)NC)o2)cc1
InChIInChI=1S/C22H26N4O4/c1-5-14(2)15-6-8-16(9-7-15)29-13-17-10-11-19(30-17)21(27)24-18-12-26(4)25-20(18)22(28)23-3/h6-12,14H,5,13H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyGDQXNLLIEATZPD-UHFFFAOYSA-N
XLogP3.72
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408918
5-[(4-butan-2-ylphenoxy)methyl]-N-(1,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 19450520
4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19459051
4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19467688
5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19450467
5-[(4-butan-2-ylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
CID 19450441
5-[(4-butan-2-ylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19450427
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448118
5-[[4-[(2S)-butan-2-yl]phenoxy]methyl]furan-2-carboxylic acid
CID 725859
N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19408956
methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19450595
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413099

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide (CID 19450675) is 4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide is CCC(C)c1ccc(OCc2ccc(C(=O)Nc3cn(C)nc3C(=O)NC)o2)cc1.
What is the InChIKey of 4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is GDQXNLLIEATZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-5-14(2)15-6-8-16(9-7-15)29-13-17-10-11-19(30-17)21(27)24-18-12-26(4)25-20(18)22(28)23-3/h6-12,14H,5,13H2,1-4H3,(H,23,28)(H,24,27).
What are the key properties of 4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19450675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).