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

C14H10N2O3S — CID 56663151

IUPACmethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(C(=O)c2ccsc2)c2ccccc12
InChIInChI=1S/C14H10N2O3S/c1-19-14(18)12-10-4-2-3-5-11(10)16(15-12)13(17)9-6-7-20-8-9/h2-8H,1H3
InChIKeyYLKJXHVLRWAFLW-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.57
Rot. Bonds2

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

methyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate (PubChem CID 56663151) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is methyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
PubChem CID56663151
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Namemethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(C(=O)c2ccsc2)c2ccccc12
InChIInChI=1S/C14H10N2O3S/c1-19-14(18)12-10-4-2-3-5-11(10)16(15-12)13(17)9-6-7-20-8-9/h2-8H,1H3
InChIKeyYLKJXHVLRWAFLW-UHFFFAOYSA-N
XLogP2.57
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
The IUPAC name of methyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate (CID 56663151) is methyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate.
What is the SMILES notation for methyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
The canonical SMILES for methyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate is COC(=O)c1nn(C(=O)c2ccsc2)c2ccccc12.
What is the InChIKey of methyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
The InChIKey is YLKJXHVLRWAFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-19-14(18)12-10-4-2-3-5-11(10)16(15-12)13(17)9-6-7-20-8-9/h2-8H,1H3.
What are the key properties of methyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
methyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate has a molecular weight of 286.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate is sourced from PubChem (CID 56663151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).