ethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate

C15H12N2O3S — CID 56659691

IUPACethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2ccsc2)c2ccccc12
InChIInChI=1S/C15H12N2O3S/c1-2-20-15(19)13-11-5-3-4-6-12(11)17(16-13)14(18)10-7-8-21-9-10/h3-9H,2H2,1H3
InChIKeyOTCHEEHVDZYGKM-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.96
Rot. Bonds3

About ethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate

ethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate (PubChem CID 56659691) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is ethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
PubChem CID56659691
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Nameethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2ccsc2)c2ccccc12
InChIInChI=1S/C15H12N2O3S/c1-2-20-15(19)13-11-5-3-4-6-12(11)17(16-13)14(18)10-7-8-21-9-10/h3-9H,2H2,1H3
InChIKeyOTCHEEHVDZYGKM-UHFFFAOYSA-N
XLogP2.96
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
The IUPAC name of ethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate (CID 56659691) is ethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
The canonical SMILES for ethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate is CCOC(=O)c1nn(C(=O)c2ccsc2)c2ccccc12.
What is the InChIKey of ethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
The InChIKey is OTCHEEHVDZYGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-2-20-15(19)13-11-5-3-4-6-12(11)17(16-13)14(18)10-7-8-21-9-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
ethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate has a molecular weight of 300.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate is sourced from PubChem (CID 56659691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).