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

C19H19N3OS — CID 70446900

IUPAC1-(4-benzyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2[nH]nc(-c3cccs3)c2C1Cc1ccccc1
InChIInChI=1S/C19H19N3OS/c1-13(23)22-10-9-15-18(16(22)12-14-6-3-2-4-7-14)19(21-20-15)17-8-5-11-24-17/h2-8,11,16H,9-10,12H2,1H3,(H,20,21)
InChIKeyADKZWTZWINFOJL-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.83
Rot. Bonds3

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

1-(4-benzyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 70446900) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-(4-benzyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
PubChem CID70446900
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name1-(4-benzyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2[nH]nc(-c3cccs3)c2C1Cc1ccccc1
InChIInChI=1S/C19H19N3OS/c1-13(23)22-10-9-15-18(16(22)12-14-6-3-2-4-7-14)19(21-20-15)17-8-5-11-24-17/h2-8,11,16H,9-10,12H2,1H3,(H,20,21)
InChIKeyADKZWTZWINFOJL-UHFFFAOYSA-N
XLogP3.83
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The IUPAC name of 1-(4-benzyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 70446900) is 1-(4-benzyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(4-benzyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(4-benzyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is CC(=O)N1CCc2[nH]nc(-c3cccs3)c2C1Cc1ccccc1.
What is the InChIKey of 1-(4-benzyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The InChIKey is ADKZWTZWINFOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13(23)22-10-9-15-18(16(22)12-14-6-3-2-4-7-14)19(21-20-15)17-8-5-11-24-17/h2-8,11,16H,9-10,12H2,1H3,(H,20,21).
What are the key properties of 1-(4-benzyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
1-(4-benzyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 337.45 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 70446900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).