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

C16H14N2O3S — CID 56680170

IUPACpropyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
SMILESCCCOC(=O)c1nn(C(=O)c2ccsc2)c2ccccc12
InChIInChI=1S/C16H14N2O3S/c1-2-8-21-16(20)14-12-5-3-4-6-13(12)18(17-14)15(19)11-7-9-22-10-11/h3-7,9-10H,2,8H2,1H3
InChIKeyZZZYFYOJEILVNN-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.35
Rot. Bonds4

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

propyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate (PubChem CID 56680170) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is propyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate.

Molecular Properties

Compound Namepropyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
PubChem CID56680170
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Namepropyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
SMILESCCCOC(=O)c1nn(C(=O)c2ccsc2)c2ccccc12
InChIInChI=1S/C16H14N2O3S/c1-2-8-21-16(20)14-12-5-3-4-6-13(12)18(17-14)15(19)11-7-9-22-10-11/h3-7,9-10H,2,8H2,1H3
InChIKeyZZZYFYOJEILVNN-UHFFFAOYSA-N
XLogP3.35
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate
CID 4460332
Ethyl 1-benzoylindazole-3-carboxylate
CID 12689316
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 16503838
Methyl 1-benzoylindazole-3-carboxylate
CID 53357861
Methyl 1-(3-methylbenzoyl)indazole-3-carboxylate
CID 53357862
Propan-2-yl 1-benzoylindazole-3-carboxylate
CID 53357863
2,2,2-Trifluoroethyl 1-benzoylindazole-3-carboxylate
CID 53357864
Ethyl 1-butanoylindazole-3-carboxylate
CID 53357865
Ethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
CID 56659691
Propyl 1-benzoylindazole-3-carboxylate
CID 56659693
Propyl 1-(3-methylbenzoyl)indazole-3-carboxylate
CID 56659694
Propan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate
CID 56659695

Frequently Asked Questions

What is the IUPAC name of propyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
The IUPAC name of propyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate (CID 56680170) is propyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate.
What is the SMILES notation for propyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
The canonical SMILES for propyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate is CCCOC(=O)c1nn(C(=O)c2ccsc2)c2ccccc12.
What is the InChIKey of propyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
The InChIKey is ZZZYFYOJEILVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-2-8-21-16(20)14-12-5-3-4-6-13(12)18(17-14)15(19)11-7-9-22-10-11/h3-7,9-10H,2,8H2,1H3.
What are the key properties of propyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
propyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate has a molecular weight of 314.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate is sourced from PubChem (CID 56680170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).