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

C8H8N4O3 — CID 136924736

IUPACethyl 5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2cn[nH]c2)o1
InChIInChI=1S/C8H8N4O3/c1-2-14-8(13)7-12-11-6(15-7)5-3-9-10-4-5/h3-4H,2H2,1H3,(H,9,10)
InChIKeyJCCSEAMDLZOTDC-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.64
Rot. Bonds3

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

ethyl 5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 136924736) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is ethyl 5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID136924736
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Nameethyl 5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2cn[nH]c2)o1
InChIInChI=1S/C8H8N4O3/c1-2-14-8(13)7-12-11-6(15-7)5-3-9-10-4-5/h3-4H,2H2,1H3,(H,9,10)
InChIKeyJCCSEAMDLZOTDC-UHFFFAOYSA-N
XLogP0.64
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

ethyl 5-(4-aminophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 70211595
ethyl 5-(4-ethylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685410
ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619393
ethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 177312454
ethyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxylate
CID 2815834
ethyl 4-(1H-pyrazol-4-yl)benzoate
CID 121435985
ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate
CID 115960764
ethyl 5-(6-ethoxypyrazin-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 167386601
ethyl 5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112685416
ethyl 1H-pyrazole-4-carboxylate;molecular hydrogen
CID 164534260
ethyl 5-(3-fluoro-5-nitrophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 115960745
ethyl 5-(4-bromo-2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619311

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate (CID 136924736) is ethyl 5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(-c2cn[nH]c2)o1.
What is the InChIKey of ethyl 5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is JCCSEAMDLZOTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-2-14-8(13)7-12-11-6(15-7)5-3-9-10-4-5/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of ethyl 5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 208.18 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 136924736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).