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

C28H25N3O3 — CID 19397913

IUPAC5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide
SMILESCCc1ccc(OCc2ccc(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)o2)cc1
InChIInChI=1S/C28H25N3O3/c1-2-20-10-12-24(13-11-20)33-19-25-14-15-27(34-25)28(32)30-23-16-29-31(18-23)17-22-8-5-7-21-6-3-4-9-26(21)22/h3-16,18H,2,17,19H2,1H3,(H,30,32)
InChIKeyDXNWIKZZMJBIPD-UHFFFAOYSA-N
MW451.53 g/mol
LogP6.07
Rot. Bonds8

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

5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19397913) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide
PubChem CID19397913
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC Name5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide
SMILESCCc1ccc(OCc2ccc(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)o2)cc1
InChIInChI=1S/C28H25N3O3/c1-2-20-10-12-24(13-11-20)33-19-25-14-15-27(34-25)28(32)30-23-16-29-31(18-23)17-22-8-5-7-21-6-3-4-9-26(21)22/h3-16,18H,2,17,19H2,1H3,(H,30,32)
InChIKeyDXNWIKZZMJBIPD-UHFFFAOYSA-N
XLogP6.07
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,3-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19397909
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19403922
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19346343
5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19450787
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-(naphthalen-1-ylmethyl)pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414095
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19395530
5-[(3,5-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346348
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19406478
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19406511
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19410019

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of 5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide (CID 19397913) is 5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide is CCc1ccc(OCc2ccc(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)o2)cc1.
What is the InChIKey of 5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is DXNWIKZZMJBIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3/c1-2-20-10-12-24(13-11-20)33-19-25-14-15-27(34-25)28(32)30-23-16-29-31(18-23)17-22-8-5-7-21-6-3-4-9-26(21)22/h3-16,18H,2,17,19H2,1H3,(H,30,32).
What are the key properties of 5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide?
5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19397913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).