3-chloro-5-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H16ClF3N6O — CID 19327823

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

3-chloro-5-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19327823) has the molecular formula C16H16ClF3N6O and a molecular weight of 400.79 g/mol. Its IUPAC name is 3-chloro-5-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-5-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19327823
• Molecular Formula: C16H16ClF3N6O
• Molecular Weight: 400.79 g/mol
• Exact Mass: 400.10
• IUPAC Name: 3-chloro-5-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cc(C(F)(F)F)n2nc(C(=O)NCCCn3nccc3C)c(Cl)c2n1
• InChI: InChI=1S/C16H16ClF3N6O/c1-9-8-11(16(18,19)20)26-14(23-9)12(17)13(24-26)15(27)21-5-3-7-25-10(2)4-6-22-25/h4,6,8H,3,5,7H2,1-2H3,(H,21,27)
• InChIKey: LTCIMFQVJYXVOO-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.79
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-chloro-5-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19327823) is 3-chloro-5-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for 3-chloro-5-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)NCCCn3nccc3C)c(Cl)c2n1.

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

The InChIKey is LTCIMFQVJYXVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N6O/c1-9-8-11(16(18,19)20)26-14(23-9)12(17)13(24-26)15(27)21-5-3-7-25-10(2)4-6-22-25/h4,6,8H,3,5,7H2,1-2H3,(H,21,27).

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

3-chloro-5-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 400.79 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19327823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).