1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one

C15H14N2OS — CID 105111099

IUPAC1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one
SMILESCn1nc(CC(=O)Cc2ccsc2)c2ccccc21
InChIInChI=1S/C15H14N2OS/c1-17-15-5-3-2-4-13(15)14(16-17)9-12(18)8-11-6-7-19-10-11/h2-7,10H,8-9H2,1H3
InChIKeyPVZDKGNKDXSZMS-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.99
Rot. Bonds4

About 1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one

1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one (PubChem CID 105111099) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one
PubChem CID105111099
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one
SMILESCn1nc(CC(=O)Cc2ccsc2)c2ccccc21
InChIInChI=1S/C15H14N2OS/c1-17-15-5-3-2-4-13(15)14(16-17)9-12(18)8-11-6-7-19-10-11/h2-7,10H,8-9H2,1H3
InChIKeyPVZDKGNKDXSZMS-UHFFFAOYSA-N
XLogP2.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 67465474
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1-(1-methylindazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105111089
1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601574
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CID 91551429
1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one
CID 116559545
1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone
CID 105111002
1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560889
1-(4,5-dibromothiophen-2-yl)-2-(1-methylindazol-3-yl)ethanone
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(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
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CID 103450366

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one?
The IUPAC name of 1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one (CID 105111099) is 1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one.
What is the SMILES notation for 1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one?
The canonical SMILES for 1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one is Cn1nc(CC(=O)Cc2ccsc2)c2ccccc21.
What is the InChIKey of 1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one?
The InChIKey is PVZDKGNKDXSZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-17-15-5-3-2-4-13(15)14(16-17)9-12(18)8-11-6-7-19-10-11/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one?
1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one has a molecular weight of 270.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-3-yl)-3-thiophen-3-ylpropan-2-one is sourced from PubChem (CID 105111099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).