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

C17H15ClF2N4O3 — CID 3962313

IUPAC7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1
InChIInChI=1S/C17H15ClF2N4O3/c18-17(19,20)14-7-11(13-4-2-6-27-13)22-15-8-12(23-24(14)15)16(25)21-9-10-3-1-5-26-10/h2,4,6-8,10H,1,3,5,9H2,(H,21,25)
InChIKeyZOIMDGQPAHJZIW-UHFFFAOYSA-N
MW396.78 g/mol
LogP3.19
Rot. Bonds5

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

7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3962313) has the molecular formula C17H15ClF2N4O3 and a molecular weight of 396.78 g/mol. Its IUPAC name is 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3962313
Molecular FormulaC17H15ClF2N4O3
Molecular Weight396.78 g/mol
Exact Mass396.08
IUPAC Name7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1
InChIInChI=1S/C17H15ClF2N4O3/c18-17(19,20)14-7-11(13-4-2-6-27-13)22-15-8-12(23-24(14)15)16(25)21-9-10-3-1-5-26-10/h2,4,6-8,10H,1,3,5,9H2,(H,21,25)
InChIKeyZOIMDGQPAHJZIW-UHFFFAOYSA-N
XLogP3.19
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.78
LogP ≤ 53.19
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-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3962313) is 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCC1CCCO1)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1.
What is the InChIKey of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ZOIMDGQPAHJZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N4O3/c18-17(19,20)14-7-11(13-4-2-6-27-13)22-15-8-12(23-24(14)15)16(25)21-9-10-3-1-5-26-10/h2,4,6-8,10H,1,3,5,9H2,(H,21,25).
What are the key properties of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 396.78 g/mol, XLogP of 3.19, 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-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3962313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).