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

C16H19N3O2 — CID 53185511

IUPAC2-methoxy-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOCC(=O)N1CCc2[nH]nc(-c3ccc(C)cc3)c2C1
InChIInChI=1S/C16H19N3O2/c1-11-3-5-12(6-4-11)16-13-9-19(15(20)10-21-2)8-7-14(13)17-18-16/h3-6H,7-10H2,1-2H3,(H,17,18)
InChIKeyLWVOXROYHIGECJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.92
Rot. Bonds3

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

2-methoxy-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 53185511) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methoxy-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID53185511
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-methoxy-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOCC(=O)N1CCc2[nH]nc(-c3ccc(C)cc3)c2C1
InChIInChI=1S/C16H19N3O2/c1-11-3-5-12(6-4-11)16-13-9-19(15(20)10-21-2)8-7-14(13)17-18-16/h3-6H,7-10H2,1-2H3,(H,17,18)
InChIKeyLWVOXROYHIGECJ-UHFFFAOYSA-N
XLogP1.92
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 53185511) is 2-methoxy-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is COCC(=O)N1CCc2[nH]nc(-c3ccc(C)cc3)c2C1.
What is the InChIKey of 2-methoxy-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is LWVOXROYHIGECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-3-5-12(6-4-11)16-13-9-19(15(20)10-21-2)8-7-14(13)17-18-16/h3-6H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-methoxy-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
2-methoxy-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 53185511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).