5,7-bis(difluoromethyl)-N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H9F5N4O — CID 1000583

IUPAC5,7-bis(difluoromethyl)-N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C15H9F5N4O/c16-7-3-1-2-4-8(7)22-15(25)10-6-12-21-9(13(17)18)5-11(14(19)20)24(12)23-10/h1-6,13-14H,(H,22,25)
InChIKeyYVSROKUJOWWLRT-UHFFFAOYSA-N
MW356.25 g/mol
LogP4.00
Rot. Bonds4

About 5,7-bis(difluoromethyl)-N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5,7-bis(difluoromethyl)-N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1000583) has the molecular formula C15H9F5N4O and a molecular weight of 356.25 g/mol. Its IUPAC name is 5,7-bis(difluoromethyl)-N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-bis(difluoromethyl)-N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1000583
Molecular FormulaC15H9F5N4O
Molecular Weight356.25 g/mol
Exact Mass356.07
IUPAC Name5,7-bis(difluoromethyl)-N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C15H9F5N4O/c16-7-3-1-2-4-8(7)22-15(25)10-6-12-21-9(13(17)18)5-11(14(19)20)24(12)23-10/h1-6,13-14H,(H,22,25)
InChIKeyYVSROKUJOWWLRT-UHFFFAOYSA-N
XLogP4.00
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(difluoromethyl)-N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-bis(difluoromethyl)-N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1000583) is 5,7-bis(difluoromethyl)-N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-bis(difluoromethyl)-N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-bis(difluoromethyl)-N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1ccccc1F)c1cc2nc(C(F)F)cc(C(F)F)n2n1.
What is the InChIKey of 5,7-bis(difluoromethyl)-N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YVSROKUJOWWLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N4O/c16-7-3-1-2-4-8(7)22-15(25)10-6-12-21-9(13(17)18)5-11(14(19)20)24(12)23-10/h1-6,13-14H,(H,22,25).
What are the key properties of 5,7-bis(difluoromethyl)-N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-bis(difluoromethyl)-N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 356.25 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(difluoromethyl)-N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1000583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).