2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-phenyl-1,3,4-oxadiazole

C16H9F4N5O — CID 19582877

IUPAC2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESFC(F)c1cc(C(F)F)n2nc(-c3nnc(-c4ccccc4)o3)cc2n1
InChIInChI=1S/C16H9F4N5O/c17-13(18)9-6-11(14(19)20)25-12(21-9)7-10(24-25)16-23-22-15(26-16)8-4-2-1-3-5-8/h1-7,13-14H
InChIKeyUTDRCHUTXPZYML-UHFFFAOYSA-N
MW363.27 g/mol
LogP4.32
Rot. Bonds4

About 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-phenyl-1,3,4-oxadiazole

2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 19582877) has the molecular formula C16H9F4N5O and a molecular weight of 363.27 g/mol. Its IUPAC name is 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID19582877
Molecular FormulaC16H9F4N5O
Molecular Weight363.27 g/mol
Exact Mass363.07
IUPAC Name2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESFC(F)c1cc(C(F)F)n2nc(-c3nnc(-c4ccccc4)o3)cc2n1
InChIInChI=1S/C16H9F4N5O/c17-13(18)9-6-11(14(19)20)25-12(21-9)7-10(24-25)16-23-22-15(26-16)8-4-2-1-3-5-8/h1-7,13-14H
InChIKeyUTDRCHUTXPZYML-UHFFFAOYSA-N
XLogP4.32
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.27
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-phenyl-1,3,4-oxadiazole (CID 19582877) is 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-phenyl-1,3,4-oxadiazole is FC(F)c1cc(C(F)F)n2nc(-c3nnc(-c4ccccc4)o3)cc2n1.
What is the InChIKey of 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is UTDRCHUTXPZYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N5O/c17-13(18)9-6-11(14(19)20)25-12(21-9)7-10(24-25)16-23-22-15(26-16)8-4-2-1-3-5-8/h1-7,13-14H.
What are the key properties of 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-phenyl-1,3,4-oxadiazole?
2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 363.27 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 19582877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).