7-(1-ethyl-3-methylpyrazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H19N7OS — CID 19416425

About 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(1-ethyl-3-methylpyrazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19416425) has the molecular formula C21H19N7OS and a molecular weight of 417.50 g/mol. Its IUPAC name is 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19416425
• Molecular Formula: C21H19N7OS
• Molecular Weight: 417.50 g/mol
• Exact Mass: 417.14
• IUPAC Name: 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCn1cc(-c2ccnc3c(C(=O)Nc4nc5ccc(C)cc5s4)cnn23)c(C)n1
• InChI: InChI=1S/C21H19N7OS/c1-4-27-11-15(13(3)26-27)17-7-8-22-19-14(10-23-28(17)19)20(29)25-21-24-16-6-5-12(2)9-18(16)30-21/h5-11H,4H2,1-3H3,(H,24,25,29)
• InChIKey: ZCOBMORWZQCBQG-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.50
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19416425) is 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(-c2ccnc3c(C(=O)Nc4nc5ccc(C)cc5s4)cnn23)c(C)n1.

What is the InChIKey of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ZCOBMORWZQCBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7OS/c1-4-27-11-15(13(3)26-27)17-7-8-22-19-14(10-23-28(17)19)20(29)25-21-24-16-6-5-12(2)9-18(16)30-21/h5-11H,4H2,1-3H3,(H,24,25,29).

What are the key properties of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-(1-ethyl-3-methylpyrazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 417.50 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19416425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).