N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide

C26H24N4O3 — CID 55826911

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(COc2ccccc2C#N)o1
InChIInChI=1S/C26H24N4O3/c1-18-23(19(2)30(29-18)16-20-8-4-3-5-9-20)15-28-26(31)25-13-12-22(33-25)17-32-24-11-7-6-10-21(24)14-27/h3-13H,15-17H2,1-2H3,(H,28,31)
InChIKeyLLMWSEFEHLVDIM-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.52
Rot. Bonds8

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide (PubChem CID 55826911) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
PubChem CID55826911
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(COc2ccccc2C#N)o1
InChIInChI=1S/C26H24N4O3/c1-18-23(19(2)30(29-18)16-20-8-4-3-5-9-20)15-28-26(31)25-13-12-22(33-25)17-32-24-11-7-6-10-21(24)14-27/h3-13H,15-17H2,1-2H3,(H,28,31)
InChIKeyLLMWSEFEHLVDIM-UHFFFAOYSA-N
XLogP4.52
TPSA93.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
CID 17393796
5-[(2-cyanophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51085773
5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide
CID 55844677
5-[(2-chloro-5-nitrophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19459474
5-[(2-cyanophenoxy)methyl]-N-[3-(2-methylimidazol-1-yl)propyl]furan-2-carboxamide
CID 55958481
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-tert-butylbenzamide
CID 8943315
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide
CID 78889010
N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55825170
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(methylsulfanylmethyl)benzamide
CID 8944114
5-[(3,5-dimethylphenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19282463
N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55843556
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-3-methoxybenzamide
CID 8944138

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide (CID 55826911) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(COc2ccccc2C#N)o1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
The InChIKey is LLMWSEFEHLVDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-18-23(19(2)30(29-18)16-20-8-4-3-5-9-20)15-28-26(31)25-13-12-22(33-25)17-32-24-11-7-6-10-21(24)14-27/h3-13H,15-17H2,1-2H3,(H,28,31).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 55826911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).