2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide

C20H15ClN4OS — CID 9138754

IUPAC2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C20H15ClN4OS/c21-16-8-6-14(7-9-16)19-15(12-18(26)23-20-22-10-11-27-20)13-25(24-19)17-4-2-1-3-5-17/h1-11,13H,12H2,(H,22,23,26)
InChIKeyNUSPXSKMAWVWGI-UHFFFAOYSA-N
MW394.89 g/mol
LogP4.83
Rot. Bonds5

About 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 9138754) has the molecular formula C20H15ClN4OS and a molecular weight of 394.89 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID9138754
Molecular FormulaC20H15ClN4OS
Molecular Weight394.89 g/mol
Exact Mass394.07
IUPAC Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C20H15ClN4OS/c21-16-8-6-14(7-9-16)19-15(12-18(26)23-20-22-10-11-27-20)13-25(24-19)17-4-2-1-3-5-17/h1-11,13H,12H2,(H,22,23,26)
InChIKeyNUSPXSKMAWVWGI-UHFFFAOYSA-N
XLogP4.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.89
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 9138754) is 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Nc1nccs1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is NUSPXSKMAWVWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4OS/c21-16-8-6-14(7-9-16)19-15(12-18(26)23-20-22-10-11-27-20)13-25(24-19)17-4-2-1-3-5-17/h1-11,13H,12H2,(H,22,23,26).
What are the key properties of 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 394.89 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 9138754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).