7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H9ClF4N4O2 — CID 1045066

IUPAC7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1
InChIInChI=1S/C18H9ClF4N4O2/c19-18(22,23)15-7-12(14-2-1-5-29-14)24-16-8-13(26-27(15)16)17(28)25-11-4-3-9(20)6-10(11)21/h1-8H,(H,25,28)
InChIKeyWFZXCLUIZAWCRO-UHFFFAOYSA-N
MW424.74 g/mol
LogP4.81
Rot. Bonds4

About 7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1045066) has the molecular formula C18H9ClF4N4O2 and a molecular weight of 424.74 g/mol. Its IUPAC name is 7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1045066
Molecular FormulaC18H9ClF4N4O2
Molecular Weight424.74 g/mol
Exact Mass424.04
IUPAC Name7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1
InChIInChI=1S/C18H9ClF4N4O2/c19-18(22,23)15-7-12(14-2-1-5-29-14)24-16-8-13(26-27(15)16)17(28)25-11-4-3-9(20)6-10(11)21/h1-8H,(H,25,28)
InChIKeyWFZXCLUIZAWCRO-UHFFFAOYSA-N
XLogP4.81
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.74
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1045066) is 7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1.
What is the InChIKey of 7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WFZXCLUIZAWCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF4N4O2/c19-18(22,23)15-7-12(14-2-1-5-29-14)24-16-8-13(26-27(15)16)17(28)25-11-4-3-9(20)6-10(11)21/h1-8H,(H,25,28).
What are the key properties of 7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 424.74 g/mol, XLogP of 4.81, 4 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-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1045066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).