5-[(4-chloropyrazol-1-yl)methyl]-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole

C11H10ClFN6O — CID 138020834

IUPAC5-[(4-chloropyrazol-1-yl)methyl]-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole
SMILESFCCn1cc(-c2noc(Cn3cc(Cl)cn3)n2)cn1
InChIInChI=1S/C11H10ClFN6O/c12-9-4-15-19(6-9)7-10-16-11(17-20-10)8-3-14-18(5-8)2-1-13/h3-6H,1-2,7H2
InChIKeyACDGBNHCTICGKU-UHFFFAOYSA-N
MW296.69 g/mol
LogP1.80
Rot. Bonds5

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

5-[(4-chloropyrazol-1-yl)methyl]-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole (PubChem CID 138020834) has the molecular formula C11H10ClFN6O and a molecular weight of 296.69 g/mol. Its IUPAC name is 5-[(4-chloropyrazol-1-yl)methyl]-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-chloropyrazol-1-yl)methyl]-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole
PubChem CID138020834
Molecular FormulaC11H10ClFN6O
Molecular Weight296.69 g/mol
Exact Mass296.06
IUPAC Name5-[(4-chloropyrazol-1-yl)methyl]-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole
SMILESFCCn1cc(-c2noc(Cn3cc(Cl)cn3)n2)cn1
InChIInChI=1S/C11H10ClFN6O/c12-9-4-15-19(6-9)7-10-16-11(17-20-10)8-3-14-18(5-8)2-1-13/h3-6H,1-2,7H2
InChIKeyACDGBNHCTICGKU-UHFFFAOYSA-N
XLogP1.80
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.69
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole (CID 138020834) is 5-[(4-chloropyrazol-1-yl)methyl]-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-chloropyrazol-1-yl)methyl]-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-chloropyrazol-1-yl)methyl]-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole is FCCn1cc(-c2noc(Cn3cc(Cl)cn3)n2)cn1.
What is the InChIKey of 5-[(4-chloropyrazol-1-yl)methyl]-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is ACDGBNHCTICGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN6O/c12-9-4-15-19(6-9)7-10-16-11(17-20-10)8-3-14-18(5-8)2-1-13/h3-6H,1-2,7H2.
What are the key properties of 5-[(4-chloropyrazol-1-yl)methyl]-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole?
5-[(4-chloropyrazol-1-yl)methyl]-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 296.69 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloropyrazol-1-yl)methyl]-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 138020834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).