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

C25H21Cl2N3O2 — CID 46091871

IUPAC4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1
InChIInChI=1S/C25H21Cl2N3O2/c1-2-32-24-6-4-3-5-18(24)15-28-25(31)17-9-7-16(8-10-17)22-14-23(30-29-22)20-12-11-19(26)13-21(20)27/h3-14H,2,15H2,1H3,(H,28,31)(H,29,30)
InChIKeyOXDVDNHOWHXUMU-UHFFFAOYSA-N
MW466.37 g/mol
LogP6.38
Rot. Bonds7

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

4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide (PubChem CID 46091871) 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-ethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
PubChem CID46091871
Molecular FormulaC25H21Cl2N3O2
Molecular Weight466.37 g/mol
Exact Mass465.10
IUPAC Name4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1
InChIInChI=1S/C25H21Cl2N3O2/c1-2-32-24-6-4-3-5-18(24)15-28-25(31)17-9-7-16(8-10-17)22-14-23(30-29-22)20-12-11-19(26)13-21(20)27/h3-14H,2,15H2,1H3,(H,28,31)(H,29,30)
InChIKeyOXDVDNHOWHXUMU-UHFFFAOYSA-N
XLogP6.38
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 ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 46091776
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide
CID 46091856
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 46091890
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
N-cyclobutyl-4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]benzamide
CID 46092129
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 46092056
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 46704851
N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046553
4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 94472484
N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091788
N-[(3-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091822
4-[[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 53049963

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide (CID 46091871) is 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide is CCOc1ccccc1CNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1.
What is the InChIKey of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide?
The InChIKey is OXDVDNHOWHXUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O2/c1-2-32-24-6-4-3-5-18(24)15-28-25(31)17-9-7-16(8-10-17)22-14-23(30-29-22)20-12-11-19(26)13-21(20)27/h3-14H,2,15H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide?
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide has a molecular weight of 466.37 g/mol, XLogP of 6.38, 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-ethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 46091871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).