2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5-ethyl-1,3,4-oxadiazole

C10H13ClN4O — CID 10633824

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2c(Cl)c(CC)nn2C)o1
InChIInChI=1S/C10H13ClN4O/c1-4-6-8(11)9(15(3)14-6)10-13-12-7(5-2)16-10/h4-5H2,1-3H3
InChIKeyMWNAVMOJYVEOBP-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.25
Rot. Bonds3

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5-ethyl-1,3,4-oxadiazole

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5-ethyl-1,3,4-oxadiazole (PubChem CID 10633824) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5-ethyl-1,3,4-oxadiazole
PubChem CID10633824
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2c(Cl)c(CC)nn2C)o1
InChIInChI=1S/C10H13ClN4O/c1-4-6-8(11)9(15(3)14-6)10-13-12-7(5-2)16-10/h4-5H2,1-3H3
InChIKeyMWNAVMOJYVEOBP-UHFFFAOYSA-N
XLogP2.25
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5-ethyl-1,3,4-oxadiazole (CID 10633824) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5-ethyl-1,3,4-oxadiazole is CCc1nnc(-c2c(Cl)c(CC)nn2C)o1.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5-ethyl-1,3,4-oxadiazole?
The InChIKey is MWNAVMOJYVEOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-4-6-8(11)9(15(3)14-6)10-13-12-7(5-2)16-10/h4-5H2,1-3H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5-ethyl-1,3,4-oxadiazole?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5-ethyl-1,3,4-oxadiazole has a molecular weight of 240.69 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 10633824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).