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

C9H10N4O3 — CID 25247762

IUPACethyl 3-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2ccnn2C)no1
InChIInChI=1S/C9H10N4O3/c1-3-15-9(14)8-11-7(12-16-8)6-4-5-10-13(6)2/h4-5H,3H2,1-2H3
InChIKeyQRPVDVWHEOUZTL-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.65
Rot. Bonds3

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

ethyl 3-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole-5-carboxylate (PubChem CID 25247762) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is ethyl 3-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole-5-carboxylate
PubChem CID25247762
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Nameethyl 3-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2ccnn2C)no1
InChIInChI=1S/C9H10N4O3/c1-3-15-9(14)8-11-7(12-16-8)6-4-5-10-13(6)2/h4-5H,3H2,1-2H3
InChIKeyQRPVDVWHEOUZTL-UHFFFAOYSA-N
XLogP0.65
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 3-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of ethyl 3-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole-5-carboxylate (CID 25247762) is ethyl 3-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for ethyl 3-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1nc(-c2ccnn2C)no1.
What is the InChIKey of ethyl 3-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is QRPVDVWHEOUZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-3-15-9(14)8-11-7(12-16-8)6-4-5-10-13(6)2/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 3-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole-5-carboxylate?
ethyl 3-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 222.20 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methylpyrazol-3-yl)-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 25247762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).