N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide

C23H20N4O5 — CID 19337498

IUPACN-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)nn1Cc1ccccc1
InChIInChI=1S/C23H20N4O5/c1-16-13-22(25-26(16)14-17-5-3-2-4-6-17)24-23(28)21-12-11-20(32-21)15-31-19-9-7-18(8-10-19)27(29)30/h2-13H,14-15H2,1H3,(H,24,25,28)
InChIKeyIXNMOZDOXYSCRL-UHFFFAOYSA-N
MW432.44 g/mol
LogP4.57
Rot. Bonds8

About N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide

N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide (PubChem CID 19337498) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
PubChem CID19337498
Molecular FormulaC23H20N4O5
Molecular Weight432.44 g/mol
Exact Mass432.14
IUPAC NameN-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)nn1Cc1ccccc1
InChIInChI=1S/C23H20N4O5/c1-16-13-22(25-26(16)14-17-5-3-2-4-6-17)24-23(28)21-12-11-20(32-21)15-31-19-9-7-18(8-10-19)27(29)30/h2-13H,14-15H2,1H3,(H,24,25,28)
InChIKeyIXNMOZDOXYSCRL-UHFFFAOYSA-N
XLogP4.57
TPSA112.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[5-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]furan-2-yl]methoxy]benzoate
CID 19337567
N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19337484
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19411485
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19393064
N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19411260
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19335135
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19284024
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19411455
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19400683
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[(4-nitrophenoxy)methyl]benzamide
CID 19339553
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
CID 19345522
N-(1-benzyl-5-methylpyrazol-3-yl)-3-nitrobenzamide
CID 19337445

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide (CID 19337498) is N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)nn1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide?
The InChIKey is IXNMOZDOXYSCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5/c1-16-13-22(25-26(16)14-17-5-3-2-4-6-17)24-23(28)21-12-11-20(32-21)15-31-19-9-7-18(8-10-19)27(29)30/h2-13H,14-15H2,1H3,(H,24,25,28).
What are the key properties of N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide?
N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19337498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).