ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate

C10H10N2O2S — CID 165461517

IUPACethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccsc2)n[nH]1
InChIInChI=1S/C10H10N2O2S/c1-2-14-10(13)9-5-8(11-12-9)7-3-4-15-6-7/h3-6H,2H2,1H3,(H,11,12)
InChIKeyXXPQQQGODCZOOM-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.31
Rot. Bonds3

About ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate

ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate (PubChem CID 165461517) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
PubChem CID165461517
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Nameethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccsc2)n[nH]1
InChIInChI=1S/C10H10N2O2S/c1-2-14-10(13)9-5-8(11-12-9)7-3-4-15-6-7/h3-6H,2H2,1H3,(H,11,12)
InChIKeyXXPQQQGODCZOOM-UHFFFAOYSA-N
XLogP2.31
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-thiophen-3-yl-1H-pyrazole-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-thiophen-3-yl-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate (CID 165461517) is ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccsc2)n[nH]1.
What is the InChIKey of ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate?
The InChIKey is XXPQQQGODCZOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-2-14-10(13)9-5-8(11-12-9)7-3-4-15-6-7/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate?
ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate has a molecular weight of 222.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 165461517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).