2,5-dimethyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-3-carboxamide

C12H11N5O2S — CID 16952830

IUPAC2,5-dimethyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(-c3cccs3)o2)n(C)n1
InChIInChI=1S/C12H11N5O2S/c1-7-6-8(17(2)16-7)10(18)13-12-15-14-11(19-12)9-4-3-5-20-9/h3-6H,1-2H3,(H,13,15,18)
InChIKeyYQLSJNCJSXGCJA-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.09
Rot. Bonds3

About 2,5-dimethyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-3-carboxamide

2,5-dimethyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 16952830) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2,5-dimethyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-3-carboxamide
PubChem CID16952830
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name2,5-dimethyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(-c3cccs3)o2)n(C)n1
InChIInChI=1S/C12H11N5O2S/c1-7-6-8(17(2)16-7)10(18)13-12-15-14-11(19-12)9-4-3-5-20-9/h3-6H,1-2H3,(H,13,15,18)
InChIKeyYQLSJNCJSXGCJA-UHFFFAOYSA-N
XLogP2.09
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,5-dimethyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-3-carboxamide 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 2,5-dimethyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-3-carboxamide (CID 16952830) is 2,5-dimethyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nnc(-c3cccs3)o2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is YQLSJNCJSXGCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-7-6-8(17(2)16-7)10(18)13-12-15-14-11(19-12)9-4-3-5-20-9/h3-6H,1-2H3,(H,13,15,18).
What are the key properties of 2,5-dimethyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-3-carboxamide?
2,5-dimethyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 16952830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).