N-benzyl-4-[5-[2,4-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzamide

C37H31N3O3 — CID 11613862

IUPACN-benzyl-4-[5-[2,4-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(-n2nccc2-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)cc1
InChIInChI=1S/C37H31N3O3/c41-37(38-25-28-10-4-1-5-11-28)31-16-18-32(19-17-31)40-35(22-23-39-40)34-21-20-33(42-26-29-12-6-2-7-13-29)24-36(34)43-27-30-14-8-3-9-15-30/h1-24H,25-27H2,(H,38,41)
InChIKeyMADQKJINICMVMG-UHFFFAOYSA-N
MW565.67 g/mol
LogP7.63
Rot. Bonds11

About N-benzyl-4-[5-[2,4-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzamide

N-benzyl-4-[5-[2,4-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzamide (PubChem CID 11613862) has the molecular formula C37H31N3O3 and a molecular weight of 565.67 g/mol. Its IUPAC name is N-benzyl-4-[5-[2,4-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[5-[2,4-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzamide
PubChem CID11613862
Molecular FormulaC37H31N3O3
Molecular Weight565.67 g/mol
Exact Mass565.24
IUPAC NameN-benzyl-4-[5-[2,4-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(-n2nccc2-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)cc1
InChIInChI=1S/C37H31N3O3/c41-37(38-25-28-10-4-1-5-11-28)31-16-18-32(19-17-31)40-35(22-23-39-40)34-21-20-33(42-26-29-12-6-2-7-13-29)24-36(34)43-27-30-14-8-3-9-15-30/h1-24H,25-27H2,(H,38,41)
InChIKeyMADQKJINICMVMG-UHFFFAOYSA-N
XLogP7.63
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.67
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-4-[5-[2,4-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzamide 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

4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708042
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
4-hydroxy-N-[(4-phenylmethoxyquinolin-6-yl)methyl]benzamide
CID 11749432
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate
CID 29209753
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54843886
N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide
CID 16663789
4-pyrazol-1-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46470263

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[5-[2,4-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzamide?
The IUPAC name of N-benzyl-4-[5-[2,4-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzamide (CID 11613862) is N-benzyl-4-[5-[2,4-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzamide.
What is the SMILES notation for N-benzyl-4-[5-[2,4-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzamide?
The canonical SMILES for N-benzyl-4-[5-[2,4-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzamide is O=C(NCc1ccccc1)c1ccc(-n2nccc2-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[5-[2,4-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzamide?
The InChIKey is MADQKJINICMVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N3O3/c41-37(38-25-28-10-4-1-5-11-28)31-16-18-32(19-17-31)40-35(22-23-39-40)34-21-20-33(42-26-29-12-6-2-7-13-29)24-36(34)43-27-30-14-8-3-9-15-30/h1-24H,25-27H2,(H,38,41).
What are the key properties of N-benzyl-4-[5-[2,4-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzamide?
N-benzyl-4-[5-[2,4-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzamide has a molecular weight of 565.67 g/mol, XLogP of 7.63, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[5-[2,4-bis(phenylmethoxy)phenyl]pyrazol-1-yl]benzamide is sourced from PubChem (CID 11613862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).