1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone

C20H24N4O3 — CID 51947513

IUPAC1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
SMILESO=C(Cc1ccc(-n2cccn2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C20H24N4O3/c25-19(15-16-4-6-17(7-5-16)24-9-2-8-21-24)22-10-12-23(13-11-22)20(26)18-3-1-14-27-18/h2,4-9,18H,1,3,10-15H2/t18-/m0/s1
InChIKeyWPXCASGHBWQJSG-SFHVURJKSA-N
MW368.44 g/mol
LogP1.26
Rot. Bonds4

About 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone

1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone (PubChem CID 51947513) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
PubChem CID51947513
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
SMILESO=C(Cc1ccc(-n2cccn2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C20H24N4O3/c25-19(15-16-4-6-17(7-5-16)24-9-2-8-21-24)22-10-12-23(13-11-22)20(26)18-3-1-14-27-18/h2,4-9,18H,1,3,10-15H2/t18-/m0/s1
InChIKeyWPXCASGHBWQJSG-SFHVURJKSA-N
XLogP1.26
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone?
The IUPAC name of 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone (CID 51947513) is 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone.
What is the SMILES notation for 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone?
The canonical SMILES for 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone is O=C(Cc1ccc(-n2cccn2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone?
The InChIKey is WPXCASGHBWQJSG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-19(15-16-4-6-17(7-5-16)24-9-2-8-21-24)22-10-12-23(13-11-22)20(26)18-3-1-14-27-18/h2,4-9,18H,1,3,10-15H2/t18-/m0/s1.
What are the key properties of 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone?
1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone has a molecular weight of 368.44 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone is sourced from PubChem (CID 51947513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).