N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide

C23H15ClN4OS — CID 155531451

IUPACN-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H15ClN4OS/c24-16-12-10-15(11-13-16)21-18(14-28(27-21)17-6-2-1-3-7-17)22(29)26-23-25-19-8-4-5-9-20(19)30-23/h1-14H,(H,25,26,29)
InChIKeyVPZGTTFECODUMR-UHFFFAOYSA-N
MW430.92 g/mol
LogP6.05
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide

N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 155531451) has the molecular formula C23H15ClN4OS and a molecular weight of 430.92 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID155531451
Molecular FormulaC23H15ClN4OS
Molecular Weight430.92 g/mol
Exact Mass430.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H15ClN4OS/c24-16-12-10-15(11-13-16)21-18(14-28(27-21)17-6-2-1-3-7-17)22(29)26-23-25-19-8-4-5-9-20(19)30-23/h1-14H,(H,25,26,29)
InChIKeyVPZGTTFECODUMR-UHFFFAOYSA-N
XLogP6.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.92
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2S)-2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(1H-pyrazol-1-yl)benzamide
CID 118025684
N-[(1S,2S)-2-[(5-Chloro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 122438643
N-[(1S,2S)-2-[(6-Chloro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 122438685
1,3-diphenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 882594
3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1287682
N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336083
N-(5-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2576311
1-(1,3-benzothiazol-2-yl)-6-(2-chlorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 2945145
N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 18205340
1-(3-chlorophenyl)-5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 32002691
2-[3-(4-Chlorophenyl)-4-formylpyrazol-1-yl]-1,3-benzothiazole-6-sulfonamide
CID 118721389
N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 155518090

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide (CID 155531451) is N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide is O=C(Nc1nc2ccccc2s1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is VPZGTTFECODUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4OS/c24-16-12-10-15(11-13-16)21-18(14-28(27-21)17-6-2-1-3-7-17)22(29)26-23-25-19-8-4-5-9-20(19)30-23/h1-14H,(H,25,26,29).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 430.92 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 155531451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).