3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide

C25H22BrN3O2 — CID 19284828

IUPAC3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1ccccc1Cn1ccc(NC(=O)c2cccc(COc3cccc(Br)c3)c2)n1
InChIInChI=1S/C25H22BrN3O2/c1-18-6-2-3-8-21(18)16-29-13-12-24(28-29)27-25(30)20-9-4-7-19(14-20)17-31-23-11-5-10-22(26)15-23/h2-15H,16-17H2,1H3,(H,27,28,30)
InChIKeyYVEKMOONKMNBAZ-UHFFFAOYSA-N
MW476.37 g/mol
LogP5.83
Rot. Bonds7

About 3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide

3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19284828) has the molecular formula C25H22BrN3O2 and a molecular weight of 476.37 g/mol. Its IUPAC name is 3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19284828
Molecular FormulaC25H22BrN3O2
Molecular Weight476.37 g/mol
Exact Mass475.09
IUPAC Name3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1ccccc1Cn1ccc(NC(=O)c2cccc(COc3cccc(Br)c3)c2)n1
InChIInChI=1S/C25H22BrN3O2/c1-18-6-2-3-8-21(18)16-29-13-12-24(28-29)27-25(30)20-9-4-7-19(14-20)17-31-23-11-5-10-22(26)15-23/h2-15H,16-17H2,1H3,(H,27,28,30)
InChIKeyYVEKMOONKMNBAZ-UHFFFAOYSA-N
XLogP5.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.37
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-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

3-[(3-bromophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283705
3-[(4-ethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394881
3-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19409574
3-[(4-tert-butylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286039
4-[(4-fluorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284891
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide
CID 19285496
3-[(4-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 4773923
3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283686
N-(1-benzylpyrazol-3-yl)-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19286281
5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19450765
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19402873
3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398867

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide (CID 19284828) is 3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide is Cc1ccccc1Cn1ccc(NC(=O)c2cccc(COc3cccc(Br)c3)c2)n1.
What is the InChIKey of 3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is YVEKMOONKMNBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrN3O2/c1-18-6-2-3-8-21(18)16-29-13-12-24(28-29)27-25(30)20-9-4-7-19(14-20)17-31-23-11-5-10-22(26)15-23/h2-15H,16-17H2,1H3,(H,27,28,30).
What are the key properties of 3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide?
3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 476.37 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19284828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).