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

C17H21F3N6O — CID 19552764

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3,4-oxadiazole
SMILESCc1cc(C)n(CCc2nnc(C(C)Cn3nc(C(F)(F)F)cc3C)o2)n1
InChIInChI=1S/C17H21F3N6O/c1-10(9-26-13(4)8-14(24-26)17(18,19)20)16-22-21-15(27-16)5-6-25-12(3)7-11(2)23-25/h7-8,10H,5-6,9H2,1-4H3
InChIKeyUZMKKTGHPXLLMS-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.45
Rot. Bonds6

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

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3,4-oxadiazole (PubChem CID 19552764) has the molecular formula C17H21F3N6O and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3,4-oxadiazole
PubChem CID19552764
Molecular FormulaC17H21F3N6O
Molecular Weight382.39 g/mol
Exact Mass382.17
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3,4-oxadiazole
SMILESCc1cc(C)n(CCc2nnc(C(C)Cn3nc(C(F)(F)F)cc3C)o2)n1
InChIInChI=1S/C17H21F3N6O/c1-10(9-26-13(4)8-14(24-26)17(18,19)20)16-22-21-15(27-16)5-6-25-12(3)7-11(2)23-25/h7-8,10H,5-6,9H2,1-4H3
InChIKeyUZMKKTGHPXLLMS-UHFFFAOYSA-N
XLogP3.45
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3,4-oxadiazole (CID 19552764) is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3,4-oxadiazole is Cc1cc(C)n(CCc2nnc(C(C)Cn3nc(C(F)(F)F)cc3C)o2)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3,4-oxadiazole?
The InChIKey is UZMKKTGHPXLLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O/c1-10(9-26-13(4)8-14(24-26)17(18,19)20)16-22-21-15(27-16)5-6-25-12(3)7-11(2)23-25/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3,4-oxadiazole?
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3,4-oxadiazole has a molecular weight of 382.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[1-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 19552764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).