5-(naphthalen-1-yloxymethyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide

C21H18N4O5 — CID 19574689

IUPAC5-(naphthalen-1-yloxymethyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(COc2cccc3ccccc23)o1
InChIInChI=1S/C21H18N4O5/c26-21(22-10-11-24-13-16(12-23-24)25(27)28)20-9-8-17(30-20)14-29-19-7-3-5-15-4-1-2-6-18(15)19/h1-9,12-13H,10-11,14H2,(H,22,26)
InChIKeyKMNUPWJIONITOV-UHFFFAOYSA-N
MW406.40 g/mol
LogP3.55
Rot. Bonds8

About 5-(naphthalen-1-yloxymethyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide

5-(naphthalen-1-yloxymethyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide (PubChem CID 19574689) has the molecular formula C21H18N4O5 and a molecular weight of 406.40 g/mol. Its IUPAC name is 5-(naphthalen-1-yloxymethyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(naphthalen-1-yloxymethyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
PubChem CID19574689
Molecular FormulaC21H18N4O5
Molecular Weight406.40 g/mol
Exact Mass406.13
IUPAC Name5-(naphthalen-1-yloxymethyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(COc2cccc3ccccc23)o1
InChIInChI=1S/C21H18N4O5/c26-21(22-10-11-24-13-16(12-23-24)25(27)28)20-9-8-17(30-20)14-29-19-7-3-5-15-4-1-2-6-18(15)19/h1-9,12-13H,10-11,14H2,(H,22,26)
InChIKeyKMNUPWJIONITOV-UHFFFAOYSA-N
XLogP3.55
TPSA112.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 53.55
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

N-[2-(4-nitropyrazol-1-yl)ethyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19281788
5-[(4-methyl-2-nitrophenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19574729
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19281797
N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19283034
5-(naphthalen-1-yloxymethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 35526034
N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19297459
5-(naphthalen-1-yloxymethyl)furan-2-carboxylate
CID 3596350
5-(naphthalen-1-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 2166258
N-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412890
N-[(4-fluorophenyl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412826
N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412877
1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid
CID 19405995

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-yloxymethyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(naphthalen-1-yloxymethyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide (CID 19574689) is 5-(naphthalen-1-yloxymethyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(naphthalen-1-yloxymethyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(naphthalen-1-yloxymethyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide is O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(COc2cccc3ccccc23)o1.
What is the InChIKey of 5-(naphthalen-1-yloxymethyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is KMNUPWJIONITOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5/c26-21(22-10-11-24-13-16(12-23-24)25(27)28)20-9-8-17(30-20)14-29-19-7-3-5-15-4-1-2-6-18(15)19/h1-9,12-13H,10-11,14H2,(H,22,26).
What are the key properties of 5-(naphthalen-1-yloxymethyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide?
5-(naphthalen-1-yloxymethyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 406.40 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-yloxymethyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 19574689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).