5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

C19H11F2N5OS — CID 19334586

IUPAC5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESFC(F)c1cc(-c2ccccc2)nc2c(-c3nc(-c4cccs4)no3)cnn12
InChIInChI=1S/C19H11F2N5OS/c20-16(21)14-9-13(11-5-2-1-3-6-11)23-18-12(10-22-26(14)18)19-24-17(25-27-19)15-7-4-8-28-15/h1-10,16H
InChIKeyPQBBLAVANYICLH-UHFFFAOYSA-N
MW395.39 g/mol
LogP5.11
Rot. Bonds4

About 5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 19334586) has the molecular formula C19H11F2N5OS and a molecular weight of 395.39 g/mol. Its IUPAC name is 5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID19334586
Molecular FormulaC19H11F2N5OS
Molecular Weight395.39 g/mol
Exact Mass395.07
IUPAC Name5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESFC(F)c1cc(-c2ccccc2)nc2c(-c3nc(-c4cccs4)no3)cnn12
InChIInChI=1S/C19H11F2N5OS/c20-16(21)14-9-13(11-5-2-1-3-6-11)23-18-12(10-22-26(14)18)19-24-17(25-27-19)15-7-4-8-28-15/h1-10,16H
InChIKeyPQBBLAVANYICLH-UHFFFAOYSA-N
XLogP5.11
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.39
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole
CID 19332759
7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 7020409
5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718742
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 30332113
5-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334548
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811588
3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole
CID 19332878
7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2056140
5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 46329488
N-benzyl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3553852
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 30926063

Frequently Asked Questions

What is the IUPAC name of 5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 19334586) is 5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is FC(F)c1cc(-c2ccccc2)nc2c(-c3nc(-c4cccs4)no3)cnn12.
What is the InChIKey of 5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is PQBBLAVANYICLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N5OS/c20-16(21)14-9-13(11-5-2-1-3-6-11)23-18-12(10-22-26(14)18)19-24-17(25-27-19)15-7-4-8-28-15/h1-10,16H.
What are the key properties of 5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 395.39 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 19334586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).