2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide

C19H19FN6OS — CID 30461561

About 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide

2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide (PubChem CID 30461561) has the molecular formula C19H19FN6OS and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide
• PubChem CID: 30461561
• Molecular Formula: C19H19FN6OS
• Molecular Weight: 398.47 g/mol
• Exact Mass: 398.13
• IUPAC Name: 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide
• SMILES: CCn1nc(C)cc1C(=O)N(CCn1cccn1)c1nc2ccc(F)cc2s1
• InChI: InChI=1S/C19H19FN6OS/c1-3-26-16(11-13(2)23-26)18(27)25(10-9-24-8-4-7-21-24)19-22-15-6-5-14(20)12-17(15)28-19/h4-8,11-12H,3,9-10H2,1-2H3
• InChIKey: OPYQSCSKKCLXGP-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 68.84 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide?

The IUPAC name of 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide (CID 30461561) is 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide.

What is the SMILES notation for 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide?

The canonical SMILES for 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N(CCn1cccn1)c1nc2ccc(F)cc2s1.

What is the InChIKey of 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide?

The InChIKey is OPYQSCSKKCLXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6OS/c1-3-26-16(11-13(2)23-26)18(27)25(10-9-24-8-4-7-21-24)19-22-15-6-5-14(20)12-17(15)28-19/h4-8,11-12H,3,9-10H2,1-2H3.

What are the key properties of 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide?

2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(2-pyrazol-1-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 30461561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).