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

C15H17N3O2 — CID 53185450

IUPAC2-(4-methylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCc3[nH]ncc3C2)cc1
InChIInChI=1S/C15H17N3O2/c1-11-2-4-13(5-3-11)20-10-15(19)18-7-6-14-12(9-18)8-16-17-14/h2-5,8H,6-7,9-10H2,1H3,(H,16,17)
InChIKeyVTGCUUBLYDKQHS-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.68
Rot. Bonds3

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

2-(4-methylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 53185450) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
PubChem CID53185450
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(4-methylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCc3[nH]ncc3C2)cc1
InChIInChI=1S/C15H17N3O2/c1-11-2-4-13(5-3-11)20-10-15(19)18-7-6-14-12(9-18)8-16-17-14/h2-5,8H,6-7,9-10H2,1H3,(H,16,17)
InChIKeyVTGCUUBLYDKQHS-UHFFFAOYSA-N
XLogP1.68
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(4-methylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone (CID 53185450) is 2-(4-methylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(4-methylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone is Cc1ccc(OCC(=O)N2CCc3[nH]ncc3C2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is VTGCUUBLYDKQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-2-4-13(5-3-11)20-10-15(19)18-7-6-14-12(9-18)8-16-17-14/h2-5,8H,6-7,9-10H2,1H3,(H,16,17).
What are the key properties of 2-(4-methylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
2-(4-methylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 271.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 53185450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).