5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

C20H15ClFN5OS — CID 31153940

About 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 31153940) has the molecular formula C20H15ClFN5OS and a molecular weight of 427.89 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
• PubChem CID: 31153940
• Molecular Formula: C20H15ClFN5OS
• Molecular Weight: 427.89 g/mol
• Exact Mass: 427.07
• IUPAC Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
• SMILES: Cc1nc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)sc1-c1ccccn1
• InChI: InChI=1S/C20H15ClFN5OS/c1-11-16(18(21)27(26-11)14-8-6-13(22)7-9-14)19(28)25-20-24-12(2)17(29-20)15-5-3-4-10-23-15/h3-10H,1-2H3,(H,24,25,28)
• InChIKey: WGGHHURVDCJMCG-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.89
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?

The IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 31153940) is 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.

What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?

The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is Cc1nc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)sc1-c1ccccn1.

What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?

The InChIKey is WGGHHURVDCJMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5OS/c1-11-16(18(21)27(26-11)14-8-6-13(22)7-9-14)19(28)25-20-24-12(2)17(29-20)15-5-3-4-10-23-15/h3-10H,1-2H3,(H,24,25,28).

What are the key properties of 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?

5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 427.89 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 31153940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).