2-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole

C8H9ClN4O — CID 19540546

IUPAC2-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole
SMILESCCn1cc(Cl)c(-c2nnc(C)o2)n1
InChIInChI=1S/C8H9ClN4O/c1-3-13-4-6(9)7(12-13)8-11-10-5(2)14-8/h4H,3H2,1-2H3
InChIKeyJPNRFKKLPPCWCU-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.91
Rot. Bonds2

About 2-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole

2-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole (PubChem CID 19540546) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is 2-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole
PubChem CID19540546
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name2-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole
SMILESCCn1cc(Cl)c(-c2nnc(C)o2)n1
InChIInChI=1S/C8H9ClN4O/c1-3-13-4-6(9)7(12-13)8-11-10-5(2)14-8/h4H,3H2,1-2H3
InChIKeyJPNRFKKLPPCWCU-UHFFFAOYSA-N
XLogP1.91
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole (CID 19540546) is 2-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole is CCn1cc(Cl)c(-c2nnc(C)o2)n1.
What is the InChIKey of 2-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is JPNRFKKLPPCWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c1-3-13-4-6(9)7(12-13)8-11-10-5(2)14-8/h4H,3H2,1-2H3.
What are the key properties of 2-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole?
2-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 212.64 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 19540546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).