4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide

C25H21Cl2N3O2 — CID 46091890

IUPAC4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(CCNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)cc2)c1
InChIInChI=1S/C25H21Cl2N3O2/c1-32-20-4-2-3-16(13-20)11-12-28-25(31)18-7-5-17(6-8-18)23-15-24(30-29-23)21-10-9-19(26)14-22(21)27/h2-10,13-15H,11-12H2,1H3,(H,28,31)(H,29,30)
InChIKeyXOFWGYVYNLROMP-UHFFFAOYSA-N
MW466.37 g/mol
LogP6.03
Rot. Bonds7

About 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide

4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 46091890) has the molecular formula C25H21Cl2N3O2 and a molecular weight of 466.37 g/mol. Its IUPAC name is 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
PubChem CID46091890
Molecular FormulaC25H21Cl2N3O2
Molecular Weight466.37 g/mol
Exact Mass465.10
IUPAC Name4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(CCNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)cc2)c1
InChIInChI=1S/C25H21Cl2N3O2/c1-32-20-4-2-3-16(13-20)11-12-28-25(31)18-7-5-17(6-8-18)23-15-24(30-29-23)21-10-9-19(26)14-22(21)27/h2-10,13-15H,11-12H2,1H3,(H,28,31)(H,29,30)
InChIKeyXOFWGYVYNLROMP-UHFFFAOYSA-N
XLogP6.03
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]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-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 46091792
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
CID 46091667
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
N-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide
CID 46092129
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 46704851
2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107843328
1-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]pyrazole-5-carboxamide
CID 44555488
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
N-[(3,4-difluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 46091676
N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 27838613

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide (CID 46091890) is 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(CCNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)cc2)c1.
What is the InChIKey of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is XOFWGYVYNLROMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O2/c1-32-20-4-2-3-16(13-20)11-12-28-25(31)18-7-5-17(6-8-18)23-15-24(30-29-23)21-10-9-19(26)14-22(21)27/h2-10,13-15H,11-12H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide?
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 466.37 g/mol, XLogP of 6.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 46091890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).