3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole

C14H15F3N6O — CID 155950234

IUPAC3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)c1nn(C)cc1-c1noc(Cn2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C14H15F3N6O/c1-8(2)12-9(6-22(3)20-12)13-18-11(24-21-13)7-23-5-4-10(19-23)14(15,16)17/h4-6,8H,7H2,1-3H3
InChIKeyLPZSBDRPCQWVAW-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.86
Rot. Bonds4

About 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole

3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 155950234) has the molecular formula C14H15F3N6O and a molecular weight of 340.31 g/mol. Its IUPAC name is 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID155950234
Molecular FormulaC14H15F3N6O
Molecular Weight340.31 g/mol
Exact Mass340.13
IUPAC Name3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)c1nn(C)cc1-c1noc(Cn2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C14H15F3N6O/c1-8(2)12-9(6-22(3)20-12)13-18-11(24-21-13)7-23-5-4-10(19-23)14(15,16)17/h4-6,8H,7H2,1-3H3
InChIKeyLPZSBDRPCQWVAW-UHFFFAOYSA-N
XLogP2.86
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole (CID 155950234) is 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole is CC(C)c1nn(C)cc1-c1noc(Cn2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is LPZSBDRPCQWVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O/c1-8(2)12-9(6-22(3)20-12)13-18-11(24-21-13)7-23-5-4-10(19-23)14(15,16)17/h4-6,8H,7H2,1-3H3.
What are the key properties of 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole?
3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 340.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 155950234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).