2-(2-benzylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(difluoromethyl)-1,3,4-oxadiazole

C16H11F2N5O — CID 156507539

IUPAC2-(2-benzylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cnc3cc(Cc4ccccc4)nn3c2)o1
InChIInChI=1S/C16H11F2N5O/c17-14(18)16-21-20-15(24-16)11-8-19-13-7-12(22-23(13)9-11)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6H2
InChIKeyODWCNNGWPUFQPC-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.31
Rot. Bonds4

About 2-(2-benzylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(difluoromethyl)-1,3,4-oxadiazole

2-(2-benzylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(difluoromethyl)-1,3,4-oxadiazole (PubChem CID 156507539) has the molecular formula C16H11F2N5O and a molecular weight of 327.29 g/mol. Its IUPAC name is 2-(2-benzylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(difluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-benzylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(difluoromethyl)-1,3,4-oxadiazole
PubChem CID156507539
Molecular FormulaC16H11F2N5O
Molecular Weight327.29 g/mol
Exact Mass327.09
IUPAC Name2-(2-benzylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cnc3cc(Cc4ccccc4)nn3c2)o1
InChIInChI=1S/C16H11F2N5O/c17-14(18)16-21-20-15(24-16)11-8-19-13-7-12(22-23(13)9-11)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6H2
InChIKeyODWCNNGWPUFQPC-UHFFFAOYSA-N
XLogP3.31
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(difluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-benzylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(difluoromethyl)-1,3,4-oxadiazole (CID 156507539) is 2-(2-benzylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(difluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-benzylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(difluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-benzylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(difluoromethyl)-1,3,4-oxadiazole is FC(F)c1nnc(-c2cnc3cc(Cc4ccccc4)nn3c2)o1.
What is the InChIKey of 2-(2-benzylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(difluoromethyl)-1,3,4-oxadiazole?
The InChIKey is ODWCNNGWPUFQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5O/c17-14(18)16-21-20-15(24-16)11-8-19-13-7-12(22-23(13)9-11)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6H2.
What are the key properties of 2-(2-benzylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(difluoromethyl)-1,3,4-oxadiazole?
2-(2-benzylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(difluoromethyl)-1,3,4-oxadiazole has a molecular weight of 327.29 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(difluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 156507539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).