N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H12F5N5O2S — CID 19449472

About N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19449472) has the molecular formula C19H12F5N5O2S and a molecular weight of 469.40 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19449472
• Molecular Formula: C19H12F5N5O2S
• Molecular Weight: 469.40 g/mol
• Exact Mass: 469.06
• IUPAC Name: N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3nc(-c4ccc(OC(F)F)cc4)cs3)cc2n1
• InChI: InChI=1S/C19H12F5N5O2S/c1-9-6-14(19(22,23)24)29-15(25-9)7-12(28-29)16(30)27-18-26-13(8-32-18)10-2-4-11(5-3-10)31-17(20)21/h2-8,17H,1H3,(H,26,27,30)
• InChIKey: BWXXAPHBWQSPEA-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.40
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19449472) is N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3nc(-c4ccc(OC(F)F)cc4)cs3)cc2n1.

What is the InChIKey of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is BWXXAPHBWQSPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N5O2S/c1-9-6-14(19(22,23)24)29-15(25-9)7-12(28-29)16(30)27-18-26-13(8-32-18)10-2-4-11(5-3-10)31-17(20)21/h2-8,17H,1H3,(H,26,27,30).

What are the key properties of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 469.40 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19449472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).