7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H13ClF4N4O2 — CID 19458070

About 7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19458070) has the molecular formula C17H13ClF4N4O2 and a molecular weight of 416.76 g/mol. Its IUPAC name is 7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19458070
• Molecular Formula: C17H13ClF4N4O2
• Molecular Weight: 416.76 g/mol
• Exact Mass: 416.07
• IUPAC Name: 7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1ccc(NC(=O)c2cc3nc(C)cc(C(F)(F)Cl)n3n2)c(OC(F)F)c1
• InChI: InChI=1S/C17H13ClF4N4O2/c1-8-3-4-10(12(5-8)28-16(19)20)24-15(27)11-7-14-23-9(2)6-13(17(18,21)22)26(14)25-11/h3-7,16H,1-2H3,(H,24,27)
• InChIKey: YOAUMLCHEKKWDF-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.76
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19458070) is 7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(NC(=O)c2cc3nc(C)cc(C(F)(F)Cl)n3n2)c(OC(F)F)c1.

What is the InChIKey of 7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is YOAUMLCHEKKWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF4N4O2/c1-8-3-4-10(12(5-8)28-16(19)20)24-15(27)11-7-14-23-9(2)6-13(17(18,21)22)26(14)25-11/h3-7,16H,1-2H3,(H,24,27).

What are the key properties of 7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?

7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 416.76 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19458070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).