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

C16H10F3N5O — CID 2819735

IUPAC3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,2,4-oxadiazole
SMILESCc1cc(C(F)(F)F)nc2c(-c3noc(-c4ccccc4)n3)cnn12
InChIInChI=1S/C16H10F3N5O/c1-9-7-12(16(17,18)19)21-14-11(8-20-24(9)14)13-22-15(25-23-13)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyDRILKALPNXYGNC-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.77
Rot. Bonds2

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

3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 2819735) has the molecular formula C16H10F3N5O and a molecular weight of 345.28 g/mol. Its IUPAC name is 3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,2,4-oxadiazole
PubChem CID2819735
Molecular FormulaC16H10F3N5O
Molecular Weight345.28 g/mol
Exact Mass345.08
IUPAC Name3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,2,4-oxadiazole
SMILESCc1cc(C(F)(F)F)nc2c(-c3noc(-c4ccccc4)n3)cnn12
InChIInChI=1S/C16H10F3N5O/c1-9-7-12(16(17,18)19)21-14-11(8-20-24(9)14)13-22-15(25-23-13)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyDRILKALPNXYGNC-UHFFFAOYSA-N
XLogP3.77
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,2,4-oxadiazole (CID 2819735) is 3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,2,4-oxadiazole is Cc1cc(C(F)(F)F)nc2c(-c3noc(-c4ccccc4)n3)cnn12.
What is the InChIKey of 3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is DRILKALPNXYGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O/c1-9-7-12(16(17,18)19)21-14-11(8-20-24(9)14)13-22-15(25-23-13)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,2,4-oxadiazole?
3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 345.28 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 2819735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).