1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one

C16H13N3OS — CID 135499784

IUPAC1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one
SMILESCCC(=O)c1ccc2[nH]c(-c3n[nH]c4ccsc34)cc2c1
InChIInChI=1S/C16H13N3OS/c1-2-14(20)9-3-4-11-10(7-9)8-13(17-11)15-16-12(18-19-15)5-6-21-16/h3-8,17H,2H2,1H3,(H,18,19)
InChIKeyQTSVIJNUFJFMMT-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.37
Rot. Bonds3

About 1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one

1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one (PubChem CID 135499784) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one
PubChem CID135499784
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one
SMILESCCC(=O)c1ccc2[nH]c(-c3n[nH]c4ccsc34)cc2c1
InChIInChI=1S/C16H13N3OS/c1-2-14(20)9-3-4-11-10(7-9)8-13(17-11)15-16-12(18-19-15)5-6-21-16/h3-8,17H,2H2,1H3,(H,18,19)
InChIKeyQTSVIJNUFJFMMT-UHFFFAOYSA-N
XLogP4.37
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one?
The IUPAC name of 1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one (CID 135499784) is 1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one.
What is the SMILES notation for 1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one?
The canonical SMILES for 1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one is CCC(=O)c1ccc2[nH]c(-c3n[nH]c4ccsc34)cc2c1.
What is the InChIKey of 1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one?
The InChIKey is QTSVIJNUFJFMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-2-14(20)9-3-4-11-10(7-9)8-13(17-11)15-16-12(18-19-15)5-6-21-16/h3-8,17H,2H2,1H3,(H,18,19).
What are the key properties of 1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one?
1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one has a molecular weight of 295.37 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one is sourced from PubChem (CID 135499784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).