N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C41H36F6N10O2S2 — CID 144734768

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 144734768) has the molecular formula C41H36F6N10O2S2 and a molecular weight of 878.93 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 144734768
• Molecular Formula: C41H36F6N10O2S2
• Molecular Weight: 878.93 g/mol
• Exact Mass: 878.24
• IUPAC Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC.Cc1cnc(NC(=O)c2c(C)nn3ccc(-c4ccccc4C(F)(F)F)nc23)s1.Cc1nc(NC(=O)c2c(C)nn3ccc(-c4ccccc4C(F)(F)F)nc23)sc1C
• InChI: InChI=1S/C20H16F3N5OS.C19H14F3N5OS.C2H6/c1-10-12(3)30-19(24-10)26-18(29)16-11(2)27-28-9-8-15(25-17(16)28)13-6-4-5-7-14(13)20(21,22)23;1-10-9-23-18(29-10)25-17(28)15-11(2)26-27-8-7-14(24-16(15)27)12-5-3-4-6-13(12)19(20,21)22;1-2/h4-9H,1-3H3,(H,24,26,29);3-9H,1-2H3,(H,23,25,28);1-2H3
• InChIKey: IELDPHHQMWKAJY-UHFFFAOYSA-N
• XLogP: 10.82
• TPSA: 144.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	878.93
LogP ≤ 5	10.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 144734768) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC.Cc1cnc(NC(=O)c2c(C)nn3ccc(-c4ccccc4C(F)(F)F)nc23)s1.Cc1nc(NC(=O)c2c(C)nn3ccc(-c4ccccc4C(F)(F)F)nc23)sc1C.

What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is IELDPHHQMWKAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5OS.C19H14F3N5OS.C2H6/c1-10-12(3)30-19(24-10)26-18(29)16-11(2)27-28-9-8-15(25-17(16)28)13-6-4-5-7-14(13)20(21,22)23;1-10-9-23-18(29-10)25-17(28)15-11(2)26-27-8-7-14(24-16(15)27)12-5-3-4-6-13(12)19(20,21)22;1-2/h4-9H,1-3H3,(H,24,26,29);3-9H,1-2H3,(H,23,25,28);1-2H3.

What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 878.93 g/mol, XLogP of 10.82, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane;2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 144734768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).