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

C20H15F4N7O — CID 19451371

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

5-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19451371) has the molecular formula C20H15F4N7O and a molecular weight of 445.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19451371
• Molecular Formula: C20H15F4N7O
• Molecular Weight: 445.38 g/mol
• Exact Mass: 445.13
• IUPAC Name: 5-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1ncn(Cc2ccccc2F)n1)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12
• InChI: InChI=1S/C20H15F4N7O/c21-14-4-2-1-3-12(14)9-30-10-25-19(29-30)28-18(32)13-8-26-31-16(20(22,23)24)7-15(11-5-6-11)27-17(13)31/h1-4,7-8,10-11H,5-6,9H2,(H,28,29,32)
• InChIKey: WEKBSWRXUDYMDW-UHFFFAOYSA-N
• XLogP: 3.66
• 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	445.38
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19451371) is 5-cyclopropyl-N-[1-[(2-fluorophenyl)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-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ncn(Cc2ccccc2F)n1)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12.

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

The InChIKey is WEKBSWRXUDYMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N7O/c21-14-4-2-1-3-12(14)9-30-10-25-19(29-30)28-18(32)13-8-26-31-16(20(22,23)24)7-15(11-5-6-11)27-17(13)31/h1-4,7-8,10-11H,5-6,9H2,(H,28,29,32).

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

5-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 445.38 g/mol, XLogP of 3.66, 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-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19451371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).