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

C11H12N6O — CID 71931260

IUPAC5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESCc1cnn(Cc2nc(Cn3cccn3)no2)c1
InChIInChI=1S/C11H12N6O/c1-9-5-13-17(6-9)8-11-14-10(15-18-11)7-16-4-2-3-12-16/h2-6H,7-8H2,1H3
InChIKeyIMRFLEMQZYHZSD-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.87
Rot. Bonds4

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

5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 71931260) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID71931260
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESCc1cnn(Cc2nc(Cn3cccn3)no2)c1
InChIInChI=1S/C11H12N6O/c1-9-5-13-17(6-9)8-11-14-10(15-18-11)7-16-4-2-3-12-16/h2-6H,7-8H2,1H3
InChIKeyIMRFLEMQZYHZSD-UHFFFAOYSA-N
XLogP0.87
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole (CID 71931260) is 5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole is Cc1cnn(Cc2nc(Cn3cccn3)no2)c1.
What is the InChIKey of 5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is IMRFLEMQZYHZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-9-5-13-17(6-9)8-11-14-10(15-18-11)7-16-4-2-3-12-16/h2-6H,7-8H2,1H3.
What are the key properties of 5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?
5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 244.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71931260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).