1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone

C18H24N4O2 — CID 100828971

IUPAC1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone
SMILESCCN1CCN(C(=O)COc2nn(-c3ccccc3)cc2C)CC1
InChIInChI=1S/C18H24N4O2/c1-3-20-9-11-21(12-10-20)17(23)14-24-18-15(2)13-22(19-18)16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3
InChIKeyLGXNHXOOZPMSBD-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.72
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone

1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone (PubChem CID 100828971) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone
PubChem CID100828971
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone
SMILESCCN1CCN(C(=O)COc2nn(-c3ccccc3)cc2C)CC1
InChIInChI=1S/C18H24N4O2/c1-3-20-9-11-21(12-10-20)17(23)14-24-18-15(2)13-22(19-18)16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3
InChIKeyLGXNHXOOZPMSBD-UHFFFAOYSA-N
XLogP1.72
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone
CID 100819889
1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
CID 171138674
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 100819878
N-cyclopentyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxyacetamide
CID 100819839
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 121086723
N,N-diethyl-4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 110366149
1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 56824387
(4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone
CID 42692541
methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate
CID 154148416
1-(4-ethylpiperazin-1-yl)-2-(6-methylpyrimidin-4-yl)oxyethanone
CID 110849961
2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 2050633

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone (CID 100828971) is 1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone is CCN1CCN(C(=O)COc2nn(-c3ccccc3)cc2C)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone?
The InChIKey is LGXNHXOOZPMSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-20-9-11-21(12-10-20)17(23)14-24-18-15(2)13-22(19-18)16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone?
1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone has a molecular weight of 328.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone is sourced from PubChem (CID 100828971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).