N-(1-benzyl-1,2,4-triazol-3-yl)-3-bromo-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H13BrF3N7O — CID 19464160

About N-(1-benzyl-1,2,4-triazol-3-yl)-3-bromo-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(1-benzyl-1,2,4-triazol-3-yl)-3-bromo-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19464160) has the molecular formula C18H13BrF3N7O and a molecular weight of 480.25 g/mol. Its IUPAC name is N-(1-benzyl-1,2,4-triazol-3-yl)-3-bromo-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3-bromo-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19464160
• Molecular Formula: C18H13BrF3N7O
• Molecular Weight: 480.25 g/mol
• Exact Mass: 479.03
• IUPAC Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3-bromo-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3ncn(Cc4ccccc4)n3)c(Br)c2n1
• InChI: InChI=1S/C18H13BrF3N7O/c1-10-7-12(18(20,21)22)29-15(24-10)13(19)14(26-29)16(30)25-17-23-9-28(27-17)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,25,27,30)
• InChIKey: NKNDRJCBXLYIOV-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.25
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-3-bromo-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19464160) is N-(1-benzyl-1,2,4-triazol-3-yl)-3-bromo-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for N-(1-benzyl-1,2,4-triazol-3-yl)-3-bromo-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3ncn(Cc4ccccc4)n3)c(Br)c2n1.

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

The InChIKey is NKNDRJCBXLYIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrF3N7O/c1-10-7-12(18(20,21)22)29-15(24-10)13(19)14(26-29)16(30)25-17-23-9-28(27-17)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,25,27,30).

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

N-(1-benzyl-1,2,4-triazol-3-yl)-3-bromo-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 480.25 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzyl-1,2,4-triazol-3-yl)-3-bromo-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19464160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).