1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one

C18H25N5O — CID 92586559

IUPAC1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(Cc2cc(-c3ccncc3)nn2C)CC1
InChIInChI=1S/C18H25N5O/c1-3-4-18(24)23-11-9-22(10-12-23)14-16-13-17(20-21(16)2)15-5-7-19-8-6-15/h5-8,13H,3-4,9-12,14H2,1-2H3
InChIKeyZEZLCEBQARRLFL-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.93
Rot. Bonds5

About 1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one

1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one (PubChem CID 92586559) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one
PubChem CID92586559
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(Cc2cc(-c3ccncc3)nn2C)CC1
InChIInChI=1S/C18H25N5O/c1-3-4-18(24)23-11-9-22(10-12-23)14-16-13-17(20-21(16)2)15-5-7-19-8-6-15/h5-8,13H,3-4,9-12,14H2,1-2H3
InChIKeyZEZLCEBQARRLFL-UHFFFAOYSA-N
XLogP1.93
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one (CID 92586559) is 1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(Cc2cc(-c3ccncc3)nn2C)CC1.
What is the InChIKey of 1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one?
The InChIKey is ZEZLCEBQARRLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-4-18(24)23-11-9-22(10-12-23)14-16-13-17(20-21(16)2)15-5-7-19-8-6-15/h5-8,13H,3-4,9-12,14H2,1-2H3.
What are the key properties of 1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one?
1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one has a molecular weight of 327.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 92586559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).