5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole

C19H15FN4O — CID 19326239

IUPAC5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c(C)c1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H15FN4O/c1-12-17(13(2)24(22-12)16-6-4-3-5-7-16)19-21-18(23-25-19)14-8-10-15(20)11-9-14/h3-11H,1-2H3
InChIKeyILCFGWSLRRSONP-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.35
Rot. Bonds3

About 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 19326239) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID19326239
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c(C)c1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H15FN4O/c1-12-17(13(2)24(22-12)16-6-4-3-5-7-16)19-21-18(23-25-19)14-8-10-15(20)11-9-14/h3-11H,1-2H3
InChIKeyILCFGWSLRRSONP-UHFFFAOYSA-N
XLogP4.35
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 19326239) is 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole is Cc1nn(-c2ccccc2)c(C)c1-c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is ILCFGWSLRRSONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-12-17(13(2)24(22-12)16-6-4-3-5-7-16)19-21-18(23-25-19)14-8-10-15(20)11-9-14/h3-11H,1-2H3.
What are the key properties of 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 334.35 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19326239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).