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

C21H18F3N7O — CID 19451361

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

5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19451361) has the molecular formula C21H18F3N7O and a molecular weight of 441.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19451361
• Molecular Formula: C21H18F3N7O
• Molecular Weight: 441.42 g/mol
• Exact Mass: 441.15
• IUPAC Name: 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cccc(Cn2cnc(NC(=O)c3cnn4c(C(F)(F)F)cc(C5CC5)nc34)n2)c1
• InChI: InChI=1S/C21H18F3N7O/c1-12-3-2-4-13(7-12)10-30-11-25-20(29-30)28-19(32)15-9-26-31-17(21(22,23)24)8-16(14-5-6-14)27-18(15)31/h2-4,7-9,11,14H,5-6,10H2,1H3,(H,28,29,32)
• InChIKey: CVIPCAOGJMLUCS-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.42
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19451361) is 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cccc(Cn2cnc(NC(=O)c3cnn4c(C(F)(F)F)cc(C5CC5)nc34)n2)c1.

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

The InChIKey is CVIPCAOGJMLUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7O/c1-12-3-2-4-13(7-12)10-30-11-25-20(29-30)28-19(32)15-9-26-31-17(21(22,23)24)8-16(14-5-6-14)27-18(15)31/h2-4,7-9,11,14H,5-6,10H2,1H3,(H,28,29,32).

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

5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 441.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19451361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).