5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide

C27H23N3O3 — CID 95744588

IUPAC5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1cnn(CCc2ccccc2)c1)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C27H23N3O3/c31-27(29-23-17-28-30(18-23)15-14-20-6-2-1-3-7-20)26-13-12-25(33-26)19-32-24-11-10-21-8-4-5-9-22(21)16-24/h1-13,16-18H,14-15,19H2,(H,29,31)
InChIKeyNMEFNYZUBMWCMV-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.70
Rot. Bonds8

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

5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide (PubChem CID 95744588) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
PubChem CID95744588
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1cnn(CCc2ccccc2)c1)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C27H23N3O3/c31-27(29-23-17-28-30(18-23)15-14-20-6-2-1-3-7-20)26-13-12-25(33-26)19-32-24-11-10-21-8-4-5-9-22(21)16-24/h1-13,16-18H,14-15,19H2,(H,29,31)
InChIKeyNMEFNYZUBMWCMV-UHFFFAOYSA-N
XLogP5.70
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19346343
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95744605
5-(naphthalen-2-yloxymethyl)-N-pyridin-3-ylfuran-2-carboxamide
CID 717197
5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19450787
5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19397913
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 95744220
N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448267
N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19340567
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19296406
5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19336414
5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60508098

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of 5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide (CID 95744588) is 5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide is O=C(Nc1cnn(CCc2ccccc2)c1)c1ccc(COc2ccc3ccccc3c2)o1.
What is the InChIKey of 5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is NMEFNYZUBMWCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c31-27(29-23-17-28-30(18-23)15-14-20-6-2-1-3-7-20)26-13-12-25(33-26)19-32-24-11-10-21-8-4-5-9-22(21)16-24/h1-13,16-18H,14-15,19H2,(H,29,31).
What are the key properties of 5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide?
5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 95744588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).