5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide

C21H16ClFN4O2S — CID 1157510

About 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide

5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 1157510) has the molecular formula C21H16ClFN4O2S and a molecular weight of 442.90 g/mol. Its IUPAC name is 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide
• PubChem CID: 1157510
• Molecular Formula: C21H16ClFN4O2S
• Molecular Weight: 442.90 g/mol
• Exact Mass: 442.07
• IUPAC Name: 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide
• SMILES: COc1ccc(F)cc1-c1csc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)n1
• InChI: InChI=1S/C21H16ClFN4O2S/c1-12-18(19(22)27(26-12)14-6-4-3-5-7-14)20(28)25-21-24-16(11-30-21)15-10-13(23)8-9-17(15)29-2/h3-11H,1-2H3,(H,24,25,28)
• InChIKey: FOLDAQXHHPTRAA-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.90
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide?

The IUPAC name of 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide (CID 1157510) is 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide.

What is the SMILES notation for 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide?

The canonical SMILES for 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide is COc1ccc(F)cc1-c1csc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)n1.

What is the InChIKey of 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide?

The InChIKey is FOLDAQXHHPTRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O2S/c1-12-18(19(22)27(26-12)14-6-4-3-5-7-14)20(28)25-21-24-16(11-30-21)15-10-13(23)8-9-17(15)29-2/h3-11H,1-2H3,(H,24,25,28).

What are the key properties of 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide?

5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 442.90 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1157510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).