5-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole

C14H15FN6O — CID 138020835

IUPAC5-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole
SMILESCn1cc(-c2nc(-c3cnn(CCF)c3)no2)c(C2CC2)n1
InChIInChI=1S/C14H15FN6O/c1-20-8-11(12(18-20)9-2-3-9)14-17-13(19-22-14)10-6-16-21(7-10)5-4-15/h6-9H,2-5H2,1H3
InChIKeyKUEMHYYFLOWYIH-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.18
Rot. Bonds5

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

5-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole (PubChem CID 138020835) has the molecular formula C14H15FN6O and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole
PubChem CID138020835
Molecular FormulaC14H15FN6O
Molecular Weight302.31 g/mol
Exact Mass302.13
IUPAC Name5-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole
SMILESCn1cc(-c2nc(-c3cnn(CCF)c3)no2)c(C2CC2)n1
InChIInChI=1S/C14H15FN6O/c1-20-8-11(12(18-20)9-2-3-9)14-17-13(19-22-14)10-6-16-21(7-10)5-4-15/h6-9H,2-5H2,1H3
InChIKeyKUEMHYYFLOWYIH-UHFFFAOYSA-N
XLogP2.18
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole (CID 138020835) is 5-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole is Cn1cc(-c2nc(-c3cnn(CCF)c3)no2)c(C2CC2)n1.
What is the InChIKey of 5-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is KUEMHYYFLOWYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6O/c1-20-8-11(12(18-20)9-2-3-9)14-17-13(19-22-14)10-6-16-21(7-10)5-4-15/h6-9H,2-5H2,1H3.
What are the key properties of 5-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
5-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 302.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 138020835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).