4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide

C25H21Cl2N3O2 — CID 19335279

IUPAC4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccc(COc3cccc(Cl)c3)cc2)nn1Cc1ccccc1Cl
InChIInChI=1S/C25H21Cl2N3O2/c1-17-13-24(29-30(17)15-20-5-2-3-8-23(20)27)28-25(31)19-11-9-18(10-12-19)16-32-22-7-4-6-21(26)14-22/h2-14H,15-16H2,1H3,(H,28,29,31)
InChIKeyVLQCOHBRUQTDHH-UHFFFAOYSA-N
MW466.37 g/mol
LogP6.38
Rot. Bonds7

About 4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide

4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide (PubChem CID 19335279) has the molecular formula C25H21Cl2N3O2 and a molecular weight of 466.37 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
PubChem CID19335279
Molecular FormulaC25H21Cl2N3O2
Molecular Weight466.37 g/mol
Exact Mass465.10
IUPAC Name4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccc(COc3cccc(Cl)c3)cc2)nn1Cc1ccccc1Cl
InChIInChI=1S/C25H21Cl2N3O2/c1-17-13-24(29-30(17)15-20-5-2-3-8-23(20)27)28-25(31)19-11-9-18(10-12-19)16-32-22-7-4-6-21(26)14-22/h2-14H,15-16H2,1H3,(H,28,29,31)
InChIKeyVLQCOHBRUQTDHH-UHFFFAOYSA-N
XLogP6.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-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

4-[(3-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337296
4-[(3-chlorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19339573
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 19335243
4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337198
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19335276
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19345604
3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 19335177
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 19335188
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-ethoxybenzamide
CID 19337140
4-[(2-bromophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19345449
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-nitrobenzamide
CID 19335373
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19335203

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide (CID 19335279) is 4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2ccc(COc3cccc(Cl)c3)cc2)nn1Cc1ccccc1Cl.
What is the InChIKey of 4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide?
The InChIKey is VLQCOHBRUQTDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O2/c1-17-13-24(29-30(17)15-20-5-2-3-8-23(20)27)28-25(31)19-11-9-18(10-12-19)16-32-22-7-4-6-21(26)14-22/h2-14H,15-16H2,1H3,(H,28,29,31).
What are the key properties of 4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide?
4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide has a molecular weight of 466.37 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 19335279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).