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

C19H14F4N6O — CID 19449481

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

N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19449481) has the molecular formula C19H14F4N6O and a molecular weight of 418.35 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19449481
• Molecular Formula: C19H14F4N6O
• Molecular Weight: 418.35 g/mol
• Exact Mass: 418.12
• IUPAC Name: N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3ccn(Cc4cccc(F)c4)n3)cc2n1
• InChI: InChI=1S/C19H14F4N6O/c1-11-7-15(19(21,22)23)29-17(24-11)9-14(26-29)18(30)25-16-5-6-28(27-16)10-12-3-2-4-13(20)8-12/h2-9H,10H2,1H3,(H,25,27,30)
• InChIKey: FTJFOFGQTLBJDT-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.35
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19449481) is N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)Nc3ccn(Cc4cccc(F)c4)n3)cc2n1.

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

The InChIKey is FTJFOFGQTLBJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N6O/c1-11-7-15(19(21,22)23)29-17(24-11)9-14(26-29)18(30)25-16-5-6-28(27-16)10-12-3-2-4-13(20)8-12/h2-9H,10H2,1H3,(H,25,27,30).

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

N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 418.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19449481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).