2-(4-ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone

C17H24N4O — CID 4886386

IUPAC2-(4-ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCCN1CCN(CC(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C17H24N4O/c1-2-19-10-12-20(13-11-19)14-17(22)21-16(8-9-18-21)15-6-4-3-5-7-15/h3-7,9,16H,2,8,10-14H2,1H3
InChIKeyGZANWKKCKFWEGF-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.58
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone

2-(4-ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 4886386) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID4886386
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-(4-ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCCN1CCN(CC(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C17H24N4O/c1-2-19-10-12-20(13-11-19)14-17(22)21-16(8-9-18-21)15-6-4-3-5-7-15/h3-7,9,16H,2,8,10-14H2,1H3
InChIKeyGZANWKKCKFWEGF-UHFFFAOYSA-N
XLogP1.58
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 4886386) is 2-(4-ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone is CCN1CCN(CC(=O)N2N=CCC2c2ccccc2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is GZANWKKCKFWEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-19-10-12-20(13-11-19)14-17(22)21-16(8-9-18-21)15-6-4-3-5-7-15/h3-7,9,16H,2,8,10-14H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
2-(4-ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 300.41 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 4886386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).