N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide

C22H20ClN3O3 — CID 19331232

IUPACN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
SMILESCCn1cc(Cl)c(CNC(=O)c2ccc(COc3cccc4ccccc34)o2)n1
InChIInChI=1S/C22H20ClN3O3/c1-2-26-13-18(23)19(25-26)12-24-22(27)21-11-10-16(29-21)14-28-20-9-5-7-15-6-3-4-8-17(15)20/h3-11,13H,2,12,14H2,1H3,(H,24,27)
InChIKeyPLGZLDMWUCGYRN-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.81
Rot. Bonds7

About N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (PubChem CID 19331232) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
PubChem CID19331232
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
SMILESCCn1cc(Cl)c(CNC(=O)c2ccc(COc3cccc4ccccc34)o2)n1
InChIInChI=1S/C22H20ClN3O3/c1-2-26-13-18(23)19(25-26)12-24-22(27)21-11-10-16(29-21)14-28-20-9-5-7-15-6-3-4-8-17(15)20/h3-11,13H,2,12,14H2,1H3,(H,24,27)
InChIKeyPLGZLDMWUCGYRN-UHFFFAOYSA-N
XLogP4.81
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19333135
N-[(4-fluorophenyl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412826
5-(naphthalen-1-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 2166258
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19332951
N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412877
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
CID 19333065
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19295408
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19283666
5-[(2-chlorophenoxy)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-2-carboxamide
CID 4139417
5-(naphthalen-1-yloxymethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 35526034
5-(naphthalen-1-yloxymethyl)furan-2-carboxylate
CID 3596350
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19333176

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (CID 19331232) is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is CCn1cc(Cl)c(CNC(=O)c2ccc(COc3cccc4ccccc34)o2)n1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?
The InChIKey is PLGZLDMWUCGYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-2-26-13-18(23)19(25-26)12-24-22(27)21-11-10-16(29-21)14-28-20-9-5-7-15-6-3-4-8-17(15)20/h3-11,13H,2,12,14H2,1H3,(H,24,27).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide has a molecular weight of 409.87 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19331232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).