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

C20H15ClF2N4O3 — CID 1046225

IUPAC7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1
InChIInChI=1S/C20H15ClF2N4O3/c1-11-5-6-15(29-2)12(8-11)25-19(28)14-10-18-24-13(16-4-3-7-30-16)9-17(20(21,22)23)27(18)26-14/h3-10H,1-2H3,(H,25,28)
InChIKeyFAUKTAZIVSGFGW-UHFFFAOYSA-N
MW432.81 g/mol
LogP4.85
Rot. Bonds5

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

7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1046225) has the molecular formula C20H15ClF2N4O3 and a molecular weight of 432.81 g/mol. Its IUPAC name is 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1046225
Molecular FormulaC20H15ClF2N4O3
Molecular Weight432.81 g/mol
Exact Mass432.08
IUPAC Name7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1
InChIInChI=1S/C20H15ClF2N4O3/c1-11-5-6-15(29-2)12(8-11)25-19(28)14-10-18-24-13(16-4-3-7-30-16)9-17(20(21,22)23)27(18)26-14/h3-10H,1-2H3,(H,25,28)
InChIKeyFAUKTAZIVSGFGW-UHFFFAOYSA-N
XLogP4.85
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.81
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]-5-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1046225) is 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1.
What is the InChIKey of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is FAUKTAZIVSGFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N4O3/c1-11-5-6-15(29-2)12(8-11)25-19(28)14-10-18-24-13(16-4-3-7-30-16)9-17(20(21,22)23)27(18)26-14/h3-10H,1-2H3,(H,25,28).
What are the key properties of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 432.81 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1046225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).