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

C26H23Cl2N3O — CID 46091856

IUPAC4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1
InChIInChI=1S/C26H23Cl2N3O/c1-17(7-8-18-5-3-2-4-6-18)29-26(32)20-11-9-19(10-12-20)24-16-25(31-30-24)22-14-13-21(27)15-23(22)28/h2-6,9-17H,7-8H2,1H3,(H,29,32)(H,30,31)
InChIKeyPTIVFPJXJMOSSK-UHFFFAOYSA-N
MW464.40 g/mol
LogP6.80
Rot. Bonds7

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

4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 46091856) has the molecular formula C26H23Cl2N3O and a molecular weight of 464.40 g/mol. Its IUPAC name is 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide
PubChem CID46091856
Molecular FormulaC26H23Cl2N3O
Molecular Weight464.40 g/mol
Exact Mass463.12
IUPAC Name4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1
InChIInChI=1S/C26H23Cl2N3O/c1-17(7-8-18-5-3-2-4-6-18)29-26(32)20-11-9-19(10-12-20)24-16-25(31-30-24)22-14-13-21(27)15-23(22)28/h2-6,9-17H,7-8H2,1H3,(H,29,32)(H,30,31)
InChIKeyPTIVFPJXJMOSSK-UHFFFAOYSA-N
XLogP6.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.40
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-4-phenylbutan-2-yl]-4-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]benzamide
CID 92772919
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 46091890
4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 100580774
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 46091871
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 46704851
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide
CID 20918247
5,6-dichloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-carboxamide
CID 7987043
2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide
CID 51157933
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[(2R)-5-(diethylamino)pentan-2-yl]benzamide
CID 92767970
4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 92819649
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide (CID 46091856) is 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide is CC(CCc1ccccc1)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1.
What is the InChIKey of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is PTIVFPJXJMOSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3O/c1-17(7-8-18-5-3-2-4-6-18)29-26(32)20-11-9-19(10-12-20)24-16-25(31-30-24)22-14-13-21(27)15-23(22)28/h2-6,9-17H,7-8H2,1H3,(H,29,32)(H,30,31).
What are the key properties of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide?
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 464.40 g/mol, XLogP of 6.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 46091856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).