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

C11H11ClN6O — CID 75397160

IUPAC5-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCc1nn(C)c(Cl)c1-c1nc(-c2cnn(C)c2)no1
InChIInChI=1S/C11H11ClN6O/c1-6-8(9(12)18(3)15-6)11-14-10(16-19-11)7-4-13-17(2)5-7/h4-5H,1-3H3
InChIKeyATUUTLOXJDPCKA-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.83
Rot. Bonds2

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

5-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 75397160) has the molecular formula C11H11ClN6O and a molecular weight of 278.70 g/mol. Its IUPAC name is 5-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID75397160
Molecular FormulaC11H11ClN6O
Molecular Weight278.70 g/mol
Exact Mass278.07
IUPAC Name5-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
SMILESCc1nn(C)c(Cl)c1-c1nc(-c2cnn(C)c2)no1
InChIInChI=1S/C11H11ClN6O/c1-6-8(9(12)18(3)15-6)11-14-10(16-19-11)7-4-13-17(2)5-7/h4-5H,1-3H3
InChIKeyATUUTLOXJDPCKA-UHFFFAOYSA-N
XLogP1.83
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole (CID 75397160) is 5-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole is Cc1nn(C)c(Cl)c1-c1nc(-c2cnn(C)c2)no1.
What is the InChIKey of 5-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is ATUUTLOXJDPCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6O/c1-6-8(9(12)18(3)15-6)11-14-10(16-19-11)7-4-13-17(2)5-7/h4-5H,1-3H3.
What are the key properties of 5-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?
5-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 278.70 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 75397160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).