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

C7H5F3N4O — CID 155681871

IUPAC5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
SMILESCn1cc(-c2ncno2)c(C(F)(F)F)n1
InChIInChI=1S/C7H5F3N4O/c1-14-2-4(6-11-3-12-15-6)5(13-14)7(8,9)10/h2-3H,1H3
InChIKeyBNTMUXZIGXVDBW-UHFFFAOYSA-N
MW218.14 g/mol
LogP1.49
Rot. Bonds1

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

5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole (PubChem CID 155681871) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
PubChem CID155681871
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC Name5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
SMILESCn1cc(-c2ncno2)c(C(F)(F)F)n1
InChIInChI=1S/C7H5F3N4O/c1-14-2-4(6-11-3-12-15-6)5(13-14)7(8,9)10/h2-3H,1H3
InChIKeyBNTMUXZIGXVDBW-UHFFFAOYSA-N
XLogP1.49
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(Difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 75391272
3-Methyl-5-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazole
CID 137956006
(5S)-5-[5-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-2-one
CID 164629882
1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 134355002
5-[1-Cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
CID 141290031
5-[4-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-1,2,4-oxadiazole
CID 155681859
5-[1-Methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazole
CID 155682014
N-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 75391271
1-[5-[1-Tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864353
1-[5-[1-Tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864354
1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120869257
1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120869258

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole (CID 155681871) is 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole is Cn1cc(-c2ncno2)c(C(F)(F)F)n1.
What is the InChIKey of 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is BNTMUXZIGXVDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c1-14-2-4(6-11-3-12-15-6)5(13-14)7(8,9)10/h2-3H,1H3.
What are the key properties of 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 218.14 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 155681871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).