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

C8H7F3N4O — CID 123958246

IUPAC2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cn(C)nc2C(F)(F)F)o1
InChIInChI=1S/C8H7F3N4O/c1-4-12-13-7(16-4)5-3-15(2)14-6(5)8(9,10)11/h3H,1-2H3
InChIKeyCHTUBYLVFZIFAJ-UHFFFAOYSA-N
MW232.16 g/mol
LogP1.80
Rot. Bonds1

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

2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole (PubChem CID 123958246) has the molecular formula C8H7F3N4O and a molecular weight of 232.16 g/mol. Its IUPAC name is 2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
PubChem CID123958246
Molecular FormulaC8H7F3N4O
Molecular Weight232.16 g/mol
Exact Mass232.06
IUPAC Name2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cn(C)nc2C(F)(F)F)o1
InChIInChI=1S/C8H7F3N4O/c1-4-12-13-7(16-4)5-3-15(2)14-6(5)8(9,10)11/h3H,1-2H3
InChIKeyCHTUBYLVFZIFAJ-UHFFFAOYSA-N
XLogP1.80
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
CID 164890357
1-methyl-3-(trifluoromethyl)pyrazole-4-thiol
CID 123615919
4-fluoro-5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile
CID 121385794
4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane
CID 177147966
1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
CID 75480753
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] carbamate
CID 68787226
1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 148767484
2-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-1,3,4-oxadiazole
CID 169163056
ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 156863648
2-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole
CID 19540546
2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
CID 169166506
4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine
CID 144632594

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole (CID 123958246) is 2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole is Cc1nnc(-c2cn(C)nc2C(F)(F)F)o1.
What is the InChIKey of 2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is CHTUBYLVFZIFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O/c1-4-12-13-7(16-4)5-3-15(2)14-6(5)8(9,10)11/h3H,1-2H3.
What are the key properties of 2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 232.16 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 123958246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).