2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone

C23H26N4O — CID 90508606

IUPAC2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C23H26N4O/c28-23(22(20-8-3-1-4-9-20)21-10-5-2-6-11-21)26-17-14-25(15-18-26)16-19-27-13-7-12-24-27/h1-13,22H,14-19H2
InChIKeyJPRDENJUQWVJMQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.86
Rot. Bonds6

About 2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone

2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone (PubChem CID 90508606) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
PubChem CID90508606
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C23H26N4O/c28-23(22(20-8-3-1-4-9-20)21-10-5-2-6-11-21)26-17-14-25(15-18-26)16-19-27-13-7-12-24-27/h1-13,22H,14-19H2
InChIKeyJPRDENJUQWVJMQ-UHFFFAOYSA-N
XLogP2.86
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenyl-1-[4-(2-pyrazol-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 95985415
2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
CID 11232518
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 121094912
(E)-3-phenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
CID 90508586
1-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 95753443
2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508652
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]acetamide
CID 70630292
1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-2,2-diphenylethanone
CID 110395727
(2S)-1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 95601884
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
2,2-diphenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 110716549

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone (CID 90508606) is 2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of 2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is JPRDENJUQWVJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(22(20-8-3-1-4-9-20)21-10-5-2-6-11-21)26-17-14-25(15-18-26)16-19-27-13-7-12-24-27/h1-13,22H,14-19H2.
What are the key properties of 2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 374.49 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 90508606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).