N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H24ClF3N6O — CID 19457818

About N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19457818) has the molecular formula C24H24ClF3N6O and a molecular weight of 504.94 g/mol. Its IUPAC name is N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19457818
• Molecular Formula: C24H24ClF3N6O
• Molecular Weight: 504.94 g/mol
• Exact Mass: 504.17
• IUPAC Name: N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nn(CCCNC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(C)C)cc4)nc23)cc1Cl
• InChI: InChI=1S/C24H24ClF3N6O/c1-14(2)16-5-7-17(8-6-16)20-11-21(24(26,27)28)34-22(31-20)18(12-30-34)23(35)29-9-4-10-33-13-19(25)15(3)32-33/h5-8,11-14H,4,9-10H2,1-3H3,(H,29,35)
• InChIKey: GUJFKVKPPCCPKX-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.94
LogP ≤ 5	5.52
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 N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19457818) is N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn(CCCNC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(C)C)cc4)nc23)cc1Cl.

What is the InChIKey of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GUJFKVKPPCCPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N6O/c1-14(2)16-5-7-17(8-6-16)20-11-21(24(26,27)28)34-22(31-20)18(12-30-34)23(35)29-9-4-10-33-13-19(25)15(3)32-33/h5-8,11-14H,4,9-10H2,1-3H3,(H,29,35).

What are the key properties of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 504.94 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19457818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).