propyl 5-(1H-indazol-3-yl)thiophene-2-carboxylate

C15H14N2O2S — CID 82073252

IUPACpropyl 5-(1H-indazol-3-yl)thiophene-2-carboxylate
SMILESCCCOC(=O)c1ccc(-c2n[nH]c3ccccc23)s1
InChIInChI=1S/C15H14N2O2S/c1-2-9-19-15(18)13-8-7-12(20-13)14-10-5-3-4-6-11(10)16-17-14/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyMYLLHRKVGCXDLG-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.86
Rot. Bonds4

About propyl 5-(1H-indazol-3-yl)thiophene-2-carboxylate

propyl 5-(1H-indazol-3-yl)thiophene-2-carboxylate (PubChem CID 82073252) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is propyl 5-(1H-indazol-3-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namepropyl 5-(1H-indazol-3-yl)thiophene-2-carboxylate
PubChem CID82073252
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Namepropyl 5-(1H-indazol-3-yl)thiophene-2-carboxylate
SMILESCCCOC(=O)c1ccc(-c2n[nH]c3ccccc23)s1
InChIInChI=1S/C15H14N2O2S/c1-2-9-19-15(18)13-8-7-12(20-13)14-10-5-3-4-6-11(10)16-17-14/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyMYLLHRKVGCXDLG-UHFFFAOYSA-N
XLogP3.86
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 5-(1H-indazol-3-yl)thiophene-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

Frequently Asked Questions

What is the IUPAC name of propyl 5-(1H-indazol-3-yl)thiophene-2-carboxylate?
The IUPAC name of propyl 5-(1H-indazol-3-yl)thiophene-2-carboxylate (CID 82073252) is propyl 5-(1H-indazol-3-yl)thiophene-2-carboxylate.
What is the SMILES notation for propyl 5-(1H-indazol-3-yl)thiophene-2-carboxylate?
The canonical SMILES for propyl 5-(1H-indazol-3-yl)thiophene-2-carboxylate is CCCOC(=O)c1ccc(-c2n[nH]c3ccccc23)s1.
What is the InChIKey of propyl 5-(1H-indazol-3-yl)thiophene-2-carboxylate?
The InChIKey is MYLLHRKVGCXDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-2-9-19-15(18)13-8-7-12(20-13)14-10-5-3-4-6-11(10)16-17-14/h3-8H,2,9H2,1H3,(H,16,17).
What are the key properties of propyl 5-(1H-indazol-3-yl)thiophene-2-carboxylate?
propyl 5-(1H-indazol-3-yl)thiophene-2-carboxylate has a molecular weight of 286.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-(1H-indazol-3-yl)thiophene-2-carboxylate is sourced from PubChem (CID 82073252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).