2-methoxy-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]ethanone

C17H23N5O2 — CID 92566191

IUPAC2-methoxy-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(Cc2cc(-c3ccncc3)nn2C)CC1
InChIInChI=1S/C17H23N5O2/c1-20-15(11-16(19-20)14-3-5-18-6-4-14)12-21-7-9-22(10-8-21)17(23)13-24-2/h3-6,11H,7-10,12-13H2,1-2H3
InChIKeyFAUWQYVVARUFTJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.77
Rot. Bonds5

About 2-methoxy-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]ethanone

2-methoxy-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 92566191) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]ethanone
PubChem CID92566191
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-methoxy-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(Cc2cc(-c3ccncc3)nn2C)CC1
InChIInChI=1S/C17H23N5O2/c1-20-15(11-16(19-20)14-3-5-18-6-4-14)12-21-7-9-22(10-8-21)17(23)13-24-2/h3-6,11H,7-10,12-13H2,1-2H3
InChIKeyFAUWQYVVARUFTJ-UHFFFAOYSA-N
XLogP0.77
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]ethanone (CID 92566191) is 2-methoxy-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]ethanone is COCC(=O)N1CCN(Cc2cc(-c3ccncc3)nn2C)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is FAUWQYVVARUFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-20-15(11-16(19-20)14-3-5-18-6-4-14)12-21-7-9-22(10-8-21)17(23)13-24-2/h3-6,11H,7-10,12-13H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]ethanone?
2-methoxy-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 329.40 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 92566191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).