N-(2,4-dichlorophenyl)-4-(3-thiophen-2-ylpyrazol-1-yl)benzamide

C20H13Cl2N3OS — CID 172876429

IUPACN-(2,4-dichlorophenyl)-4-(3-thiophen-2-ylpyrazol-1-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc(-n2ccc(-c3cccs3)n2)cc1
InChIInChI=1S/C20H13Cl2N3OS/c21-14-5-8-17(16(22)12-14)23-20(26)13-3-6-15(7-4-13)25-10-9-18(24-25)19-2-1-11-27-19/h1-12H,(H,23,26)
InChIKeyIQWHBQNATDITRN-UHFFFAOYSA-N
MW414.32 g/mol
LogP6.16
Rot. Bonds4

About N-(2,4-dichlorophenyl)-4-(3-thiophen-2-ylpyrazol-1-yl)benzamide

N-(2,4-dichlorophenyl)-4-(3-thiophen-2-ylpyrazol-1-yl)benzamide (PubChem CID 172876429) has the molecular formula C20H13Cl2N3OS and a molecular weight of 414.32 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-(3-thiophen-2-ylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-(3-thiophen-2-ylpyrazol-1-yl)benzamide
PubChem CID172876429
Molecular FormulaC20H13Cl2N3OS
Molecular Weight414.32 g/mol
Exact Mass413.02
IUPAC NameN-(2,4-dichlorophenyl)-4-(3-thiophen-2-ylpyrazol-1-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc(-n2ccc(-c3cccs3)n2)cc1
InChIInChI=1S/C20H13Cl2N3OS/c21-14-5-8-17(16(22)12-14)23-20(26)13-3-6-15(7-4-13)25-10-9-18(24-25)19-2-1-11-27-19/h1-12H,(H,23,26)
InChIKeyIQWHBQNATDITRN-UHFFFAOYSA-N
XLogP6.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.32
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 18832575
N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862246
N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide
CID 172876438
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide
CID 7295362
2,5-dichloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139893
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
4-chloro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide
CID 42109166
N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 38104555
1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
CID 55977488
4-(tetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 51149957
1-(4-chlorophenyl)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7495251
1-(4-chlorophenyl)-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3468466

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-(3-thiophen-2-ylpyrazol-1-yl)benzamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-(3-thiophen-2-ylpyrazol-1-yl)benzamide (CID 172876429) is N-(2,4-dichlorophenyl)-4-(3-thiophen-2-ylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-(3-thiophen-2-ylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-(3-thiophen-2-ylpyrazol-1-yl)benzamide is O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-n2ccc(-c3cccs3)n2)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-(3-thiophen-2-ylpyrazol-1-yl)benzamide?
The InChIKey is IQWHBQNATDITRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3OS/c21-14-5-8-17(16(22)12-14)23-20(26)13-3-6-15(7-4-13)25-10-9-18(24-25)19-2-1-11-27-19/h1-12H,(H,23,26).
What are the key properties of N-(2,4-dichlorophenyl)-4-(3-thiophen-2-ylpyrazol-1-yl)benzamide?
N-(2,4-dichlorophenyl)-4-(3-thiophen-2-ylpyrazol-1-yl)benzamide has a molecular weight of 414.32 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-(3-thiophen-2-ylpyrazol-1-yl)benzamide is sourced from PubChem (CID 172876429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).