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

C12H13F3N4O — CID 141290031

IUPAC5-[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1c(-c2ncno2)cnn1C1CCCCC1
InChIInChI=1S/C12H13F3N4O/c13-12(14,15)10-9(11-16-7-18-20-11)6-17-19(10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyJIPXMQIVYKGYFE-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.46
Rot. Bonds2

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

5-[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole (PubChem CID 141290031) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 5-[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
PubChem CID141290031
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name5-[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1c(-c2ncno2)cnn1C1CCCCC1
InChIInChI=1S/C12H13F3N4O/c13-12(14,15)10-9(11-16-7-18-20-11)6-17-19(10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyJIPXMQIVYKGYFE-UHFFFAOYSA-N
XLogP3.46
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-azepan-2-yl]-5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazole
CID 97345758
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
5-[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
CID 155681871
[4-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 56818692
N-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 75391271
3-(Azepan-2-yl)-5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazole
CID 75475196
3-[(2R)-azepan-2-yl]-5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazole
CID 97345759
1-[5-[1-Tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856997
1-[5-[1-Tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856998
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

Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole (CID 141290031) is 5-[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole is FC(F)(F)c1c(-c2ncno2)cnn1C1CCCCC1.
What is the InChIKey of 5-[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is JIPXMQIVYKGYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c13-12(14,15)10-9(11-16-7-18-20-11)6-17-19(10)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 5-[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
5-[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 286.26 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 141290031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).