N-[3-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide

C25H24N4O5 — CID 19413411

IUPACN-[3-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCCOc1ccc(OCc2ccc(C(=O)Nc3cccc(NC(=O)c4ccn(C)n4)c3)o2)cc1
InChIInChI=1S/C25H24N4O5/c1-3-32-19-7-9-20(10-8-19)33-16-21-11-12-23(34-21)25(31)27-18-6-4-5-17(15-18)26-24(30)22-13-14-29(2)28-22/h4-15H,3,16H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyRNYWHQPKHAOGMB-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.50
Rot. Bonds9

About N-[3-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide

N-[3-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 19413411) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-[3-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID19413411
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC NameN-[3-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCCOc1ccc(OCc2ccc(C(=O)Nc3cccc(NC(=O)c4ccn(C)n4)c3)o2)cc1
InChIInChI=1S/C25H24N4O5/c1-3-32-19-7-9-20(10-8-19)33-16-21-11-12-23(34-21)25(31)27-18-6-4-5-17(15-18)26-24(30)22-13-14-29(2)28-22/h4-15H,3,16H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyRNYWHQPKHAOGMB-UHFFFAOYSA-N
XLogP4.50
TPSA107.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19452561
1-methyl-N-[3-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide
CID 19465960
N-[4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19413187
1-methyl-N-[4-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide
CID 19465959
5-[(4-ethylphenoxy)methyl]-N-(1-methylpyrazol-3-yl)furan-2-carboxamide
CID 19405068
N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19415389
N-[4-[[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19448686
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19395530
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26774462
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19452540
N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 53054149

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide (CID 19413411) is N-[3-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide is CCOc1ccc(OCc2ccc(C(=O)Nc3cccc(NC(=O)c4ccn(C)n4)c3)o2)cc1.
What is the InChIKey of N-[3-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is RNYWHQPKHAOGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-3-32-19-7-9-20(10-8-19)33-16-21-11-12-23(34-21)25(31)27-18-6-4-5-17(15-18)26-24(30)22-13-14-29(2)28-22/h4-15H,3,16H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[3-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide?
N-[3-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19413411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).