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

C16H15F3N4O — CID 2807799

IUPAC5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCCCc1c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cnn1C
InChIInChI=1S/C16H15F3N4O/c1-3-4-13-12(9-20-23(13)2)15-21-14(22-24-15)10-5-7-11(8-6-10)16(17,18)19/h5-9H,3-4H2,1-2H3
InChIKeyGIIWIHSSCDJXAC-UHFFFAOYSA-N
MW336.32 g/mol
LogP4.11
Rot. Bonds4

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

5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 2807799) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID2807799
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCCCc1c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cnn1C
InChIInChI=1S/C16H15F3N4O/c1-3-4-13-12(9-20-23(13)2)15-21-14(22-24-15)10-5-7-11(8-6-10)16(17,18)19/h5-9H,3-4H2,1-2H3
InChIKeyGIIWIHSSCDJXAC-UHFFFAOYSA-N
XLogP4.11
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(1-methyltetrazol-5-yl)methyl]phenyl]-5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazole
CID 71666339
2-[1-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1,3-oxazole
CID 172720092
1-[4-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidin-2-one
CID 150660059
5-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 151291731
3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19614165
2-[3-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propan-2-ol
CID 59054227
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 43627422
5-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2808028
5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 72868764
5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole
CID 71666039
5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1362600
5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-[1-(2,2,2-triphenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-oxadiazole
CID 151028769

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 2807799) is 5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is CCCc1c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cnn1C.
What is the InChIKey of 5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is GIIWIHSSCDJXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-3-4-13-12(9-20-23(13)2)15-21-14(22-24-15)10-5-7-11(8-6-10)16(17,18)19/h5-9H,3-4H2,1-2H3.
What are the key properties of 5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 336.32 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2807799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).