3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C14H11F3N4O — CID 130454323

IUPAC3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCc1cc(C)n(-c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1
InChIInChI=1S/C14H11F3N4O/c1-8-7-9(2)21(19-8)11-5-3-10(4-6-11)12-18-13(22-20-12)14(15,16)17/h3-7H,1-2H3
InChIKeySRWNZBJNRLREEI-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.56
Rot. Bonds2

About 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 130454323) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID130454323
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCc1cc(C)n(-c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1
InChIInChI=1S/C14H11F3N4O/c1-8-7-9(2)21(19-8)11-5-3-10(4-6-11)12-18-13(22-20-12)14(15,16)17/h3-7H,1-2H3
InChIKeySRWNZBJNRLREEI-UHFFFAOYSA-N
XLogP3.56
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 130454323) is 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is Cc1cc(C)n(-c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1.
What is the InChIKey of 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is SRWNZBJNRLREEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c1-8-7-9(2)21(19-8)11-5-3-10(4-6-11)12-18-13(22-20-12)14(15,16)17/h3-7H,1-2H3.
What are the key properties of 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 308.26 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 130454323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).