N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C23H22N4O5 — CID 19281973

IUPACN-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCc1nn(CCNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C23H22N4O5/c1-15-22(27(29)30)16(2)26(25-15)12-11-24-23(28)21-10-9-20(32-21)14-31-19-8-7-17-5-3-4-6-18(17)13-19/h3-10,13H,11-12,14H2,1-2H3,(H,24,28)
InChIKeyYYAUWFSSADCXRG-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.16
Rot. Bonds8

About N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 19281973) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
PubChem CID19281973
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC NameN-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCc1nn(CCNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C23H22N4O5/c1-15-22(27(29)30)16(2)26(25-15)12-11-24-23(28)21-10-9-20(32-21)14-31-19-8-7-17-5-3-4-6-18(17)13-19/h3-10,13H,11-12,14H2,1-2H3,(H,24,28)
InChIKeyYYAUWFSSADCXRG-UHFFFAOYSA-N
XLogP4.16
TPSA112.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.16
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-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19282065
N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19281979
5-[(4-acetylphenoxy)methyl]-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19282070
N-(1,5-dimethylpyrazol-3-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39886151
N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19283093
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19346518
N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19283034
5-[(4-acetylphenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19283169
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19296406
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19295432
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19295430
2-bromo-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]benzamide
CID 19281951

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 19281973) is N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is Cc1nn(CCNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c(C)c1[N+](=O)[O-].
What is the InChIKey of N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The InChIKey is YYAUWFSSADCXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-15-22(27(29)30)16(2)26(25-15)12-11-24-23(28)21-10-9-20(32-21)14-31-19-8-7-17-5-3-4-6-18(17)13-19/h3-10,13H,11-12,14H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19281973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).