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

C27H23N3O3 — CID 19346343

IUPACN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCc1ccccc1Cn1cc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cn1
InChIInChI=1S/C27H23N3O3/c1-19-6-2-3-9-22(19)16-30-17-23(15-28-30)29-27(31)26-13-12-25(33-26)18-32-24-11-10-20-7-4-5-8-21(20)14-24/h2-15,17H,16,18H2,1H3,(H,29,31)
InChIKeyVBABEFSMNJZQFN-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.82
Rot. Bonds7

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

N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 19346343) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
PubChem CID19346343
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC NameN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCc1ccccc1Cn1cc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cn1
InChIInChI=1S/C27H23N3O3/c1-19-6-2-3-9-22(19)16-30-17-23(15-28-30)29-27(31)26-13-12-25(33-26)18-32-24-11-10-20-7-4-5-8-21(20)14-24/h2-15,17H,16,18H2,1H3,(H,29,31)
InChIKeyVBABEFSMNJZQFN-UHFFFAOYSA-N
XLogP5.82
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19450787
5-[(3,5-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346348
5-(naphthalen-2-yloxymethyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95744588
5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19397913
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19346335
methyl 2-[[4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19402207
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19397917
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 19458922
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19410192
5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19399923
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19410019
5-(naphthalen-2-yloxymethyl)-N-pyridin-3-ylfuran-2-carboxamide
CID 717197

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 19346343) is N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is Cc1ccccc1Cn1cc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cn1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The InChIKey is VBABEFSMNJZQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-19-6-2-3-9-22(19)16-30-17-23(15-28-30)29-27(31)26-13-12-25(33-26)18-32-24-11-10-20-7-4-5-8-21(20)14-24/h2-15,17H,16,18H2,1H3,(H,29,31).
What are the key properties of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19346343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).