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

C12H17N5O — CID 167864904

IUPAC5-(3-ethyl-1-methylpyrazol-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
SMILESCCc1nn(C)cc1-c1nc(N2CCCC2)no1
InChIInChI=1S/C12H17N5O/c1-3-10-9(8-16(2)14-10)11-13-12(15-18-11)17-6-4-5-7-17/h8H,3-7H2,1-2H3
InChIKeyGEGZOZMZPRQLMP-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.63
Rot. Bonds3

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

5-(3-ethyl-1-methylpyrazol-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole (PubChem CID 167864904) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(3-ethyl-1-methylpyrazol-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethyl-1-methylpyrazol-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
PubChem CID167864904
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-(3-ethyl-1-methylpyrazol-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
SMILESCCc1nn(C)cc1-c1nc(N2CCCC2)no1
InChIInChI=1S/C12H17N5O/c1-3-10-9(8-16(2)14-10)11-13-12(15-18-11)17-6-4-5-7-17/h8H,3-7H2,1-2H3
InChIKeyGEGZOZMZPRQLMP-UHFFFAOYSA-N
XLogP1.63
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-1-methylpyrazol-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethyl-1-methylpyrazol-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole (CID 167864904) is 5-(3-ethyl-1-methylpyrazol-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethyl-1-methylpyrazol-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethyl-1-methylpyrazol-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole is CCc1nn(C)cc1-c1nc(N2CCCC2)no1.
What is the InChIKey of 5-(3-ethyl-1-methylpyrazol-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The InChIKey is GEGZOZMZPRQLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-10-9(8-16(2)14-10)11-13-12(15-18-11)17-6-4-5-7-17/h8H,3-7H2,1-2H3.
What are the key properties of 5-(3-ethyl-1-methylpyrazol-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
5-(3-ethyl-1-methylpyrazol-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole has a molecular weight of 247.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-1-methylpyrazol-4-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 167864904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).