7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H10ClF2N5O3 — CID 1205274

About 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1205274) has the molecular formula C16H10ClF2N5O3 and a molecular weight of 393.74 g/mol. Its IUPAC name is 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 1205274
• Molecular Formula: C16H10ClF2N5O3
• Molecular Weight: 393.74 g/mol
• Exact Mass: 393.04
• IUPAC Name: 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)Cl)n3n2)no1
• InChI: InChI=1S/C16H10ClF2N5O3/c1-8-5-13(23-27-8)21-15(25)10-7-14-20-9(11-3-2-4-26-11)6-12(16(17,18)19)24(14)22-10/h2-7H,1H3,(H,21,23,25)
• InChIKey: OISIWFNUOGXFHJ-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 98.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.74
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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]-5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1205274) is 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)Cl)n3n2)no1.

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

The InChIKey is OISIWFNUOGXFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2N5O3/c1-8-5-13(23-27-8)21-15(25)10-7-14-20-9(11-3-2-4-26-11)6-12(16(17,18)19)24(14)22-10/h2-7H,1H3,(H,21,23,25).

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

7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 393.74 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1205274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).