5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole

C10H14N4O — CID 75510425

IUPAC5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CCc2c(C)n[nH]c2C)n1
InChIInChI=1S/C10H14N4O/c1-6-9(7(2)13-12-6)4-5-10-11-8(3)14-15-10/h4-5H2,1-3H3,(H,12,13)
InChIKeyFDQMGJSXLFLEMX-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.50
Rot. Bonds3

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

5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 75510425) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID75510425
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CCc2c(C)n[nH]c2C)n1
InChIInChI=1S/C10H14N4O/c1-6-9(7(2)13-12-6)4-5-10-11-8(3)14-15-10/h4-5H2,1-3H3,(H,12,13)
InChIKeyFDQMGJSXLFLEMX-UHFFFAOYSA-N
XLogP1.50
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole (CID 75510425) is 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(CCc2c(C)n[nH]c2C)n1.
What is the InChIKey of 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is FDQMGJSXLFLEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6-9(7(2)13-12-6)4-5-10-11-8(3)14-15-10/h4-5H2,1-3H3,(H,12,13).
What are the key properties of 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole?
5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 206.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 75510425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).