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

C10H11F3N4O — CID 19550755

IUPAC2-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1nnc(CCn2nc(C(F)(F)F)cc2C)o1
InChIInChI=1S/C10H11F3N4O/c1-6-5-8(10(11,12)13)16-17(6)4-3-9-15-14-7(2)18-9/h5H,3-4H2,1-2H3
InChIKeyKBMIALQCYVNNJH-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.14
Rot. Bonds3

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

2-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole (PubChem CID 19550755) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole
PubChem CID19550755
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name2-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole
SMILESCc1nnc(CCn2nc(C(F)(F)F)cc2C)o1
InChIInChI=1S/C10H11F3N4O/c1-6-5-8(10(11,12)13)16-17(6)4-3-9-15-14-7(2)18-9/h5H,3-4H2,1-2H3
InChIKeyKBMIALQCYVNNJH-UHFFFAOYSA-N
XLogP2.14
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole
CID 19550766
4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butan-1-amine
CID 139944590
2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 19540576
5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 169072222
5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 19328285
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-5-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-oxadiazole
CID 19552430
1-(cyclohexylmethyl)-5-methyl-3-(trifluoromethyl)pyrazole
CID 70919591
ethyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate
CID 25247509
N-(2-hydroxyethyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566161
5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 171315920
N'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide
CID 19614626

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole (CID 19550755) is 2-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole is Cc1nnc(CCn2nc(C(F)(F)F)cc2C)o1.
What is the InChIKey of 2-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole?
The InChIKey is KBMIALQCYVNNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-6-5-8(10(11,12)13)16-17(6)4-3-9-15-14-7(2)18-9/h5H,3-4H2,1-2H3.
What are the key properties of 2-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole?
2-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole has a molecular weight of 260.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19550755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).