3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole

C8H9ClN4O — CID 112571923

IUPAC3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1-c1nc(Cl)no1
InChIInChI=1S/C8H9ClN4O/c1-4-6(5(2)13(3)11-4)7-10-8(9)12-14-7/h1-3H3
InChIKeyVFJIHYIGKGGYGQ-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.74
Rot. Bonds1

About 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole

3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 112571923) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID112571923
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1-c1nc(Cl)no1
InChIInChI=1S/C8H9ClN4O/c1-4-6(5(2)13(3)11-4)7-10-8(9)12-14-7/h1-3H3
InChIKeyVFJIHYIGKGGYGQ-UHFFFAOYSA-N
XLogP1.74
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62343565
4-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525200
3-(1-piperazin-1-ylethyl)-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 63343278
3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 132606149
3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525333
3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-thiadiazole
CID 102943886
3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352329
4-(4-chlorophenyl)-1,3,5-trimethylpyrazole
CID 142305322
3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 112572079
3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole
CID 112571983
3-(1-methylpiperazin-2-yl)-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 120957198
4-chloro-5-fluoro-1,3-dimethylpyrazole
CID 170913532

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole (CID 112571923) is 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole is Cc1nn(C)c(C)c1-c1nc(Cl)no1.
What is the InChIKey of 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is VFJIHYIGKGGYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c1-4-6(5(2)13(3)11-4)7-10-8(9)12-14-7/h1-3H3.
What are the key properties of 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole?
3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 212.64 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 112571923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).