1-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

C12H13N3OS — CID 57207134

IUPAC1-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2[nH]nc(-c3cccs3)c2C1
InChIInChI=1S/C12H13N3OS/c1-8(16)15-5-4-10-9(7-15)12(14-13-10)11-3-2-6-17-11/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeyIYCPOVPHBRZHCZ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.04
Rot. Bonds1

About 1-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

1-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 57207134) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
PubChem CID57207134
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name1-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2[nH]nc(-c3cccs3)c2C1
InChIInChI=1S/C12H13N3OS/c1-8(16)15-5-4-10-9(7-15)12(14-13-10)11-3-2-6-17-11/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeyIYCPOVPHBRZHCZ-UHFFFAOYSA-N
XLogP2.04
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The IUPAC name of 1-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 57207134) is 1-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is CC(=O)N1CCc2[nH]nc(-c3cccs3)c2C1.
What is the InChIKey of 1-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The InChIKey is IYCPOVPHBRZHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8(16)15-5-4-10-9(7-15)12(14-13-10)11-3-2-6-17-11/h2-3,6H,4-5,7H2,1H3,(H,13,14).
What are the key properties of 1-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
1-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 247.32 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 57207134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).