3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide

C23H17Cl2N3O2 — CID 46088099

IUPAC3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H17Cl2N3O2/c1-30-20-11-9-19(10-12-20)28-22(26-23(29)16-3-2-4-18(25)13-16)14-21(27-28)15-5-7-17(24)8-6-15/h2-14H,1H3,(H,26,29)
InChIKeySESBNKDUXSONCR-UHFFFAOYSA-N
MW438.31 g/mol
LogP6.11
Rot. Bonds5

About 3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide

3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide (PubChem CID 46088099) has the molecular formula C23H17Cl2N3O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is 3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide
PubChem CID46088099
Molecular FormulaC23H17Cl2N3O2
Molecular Weight438.31 g/mol
Exact Mass437.07
IUPAC Name3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H17Cl2N3O2/c1-30-20-11-9-19(10-12-20)28-22(26-23(29)16-3-2-4-18(25)13-16)14-21(27-28)15-5-7-17(24)8-6-15/h2-14H,1H3,(H,26,29)
InChIKeySESBNKDUXSONCR-UHFFFAOYSA-N
XLogP6.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.31
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088105
3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134799352
N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide
CID 20896247
4-tert-butyl-N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide
CID 46087774
3-methoxy-N-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide
CID 134798353
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
CID 20896243
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 46088027
1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755325
3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide
CID 134797164
3-chloro-N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 7693026
1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
CID 42732916

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide?
The IUPAC name of 3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide (CID 46088099) is 3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide is COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide?
The InChIKey is SESBNKDUXSONCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2/c1-30-20-11-9-19(10-12-20)28-22(26-23(29)16-3-2-4-18(25)13-16)14-21(27-28)15-5-7-17(24)8-6-15/h2-14H,1H3,(H,26,29).
What are the key properties of 3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide?
3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide has a molecular weight of 438.31 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 46088099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).