1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one

C19H24N4O3 — CID 72939918

IUPAC1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCN(C(=O)COc2ccccc2)CC1)n1cccn1
InChIInChI=1S/C19H24N4O3/c1-2-17(23-10-6-9-20-23)19(25)22-13-11-21(12-14-22)18(24)15-26-16-7-4-3-5-8-16/h3-10,17H,2,11-15H2,1H3
InChIKeyZUHFHNZDAABBOM-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.58
Rot. Bonds6

About 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one

1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one (PubChem CID 72939918) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
PubChem CID72939918
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCN(C(=O)COc2ccccc2)CC1)n1cccn1
InChIInChI=1S/C19H24N4O3/c1-2-17(23-10-6-9-20-23)19(25)22-13-11-21(12-14-22)18(24)15-26-16-7-4-3-5-8-16/h3-10,17H,2,11-15H2,1H3
InChIKeyZUHFHNZDAABBOM-UHFFFAOYSA-N
XLogP1.58
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one (CID 72939918) is 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one is CCC(C(=O)N1CCN(C(=O)COc2ccccc2)CC1)n1cccn1.
What is the InChIKey of 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The InChIKey is ZUHFHNZDAABBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-17(23-10-6-9-20-23)19(25)22-13-11-21(12-14-22)18(24)15-26-16-7-4-3-5-8-16/h3-10,17H,2,11-15H2,1H3.
What are the key properties of 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one has a molecular weight of 356.43 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 72939918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).