3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one

C22H24N4O — CID 75527247

IUPAC3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1
InChIInChI=1S/C22H24N4O/c27-22(12-11-18-7-3-1-4-8-18)26-15-13-25(14-16-26)21-17-20(23-24-21)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,24)
InChIKeyCJYYUHFNBAJJFL-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.36
Rot. Bonds5

About 3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one

3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 75527247) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
PubChem CID75527247
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1
InChIInChI=1S/C22H24N4O/c27-22(12-11-18-7-3-1-4-8-18)26-15-13-25(14-16-26)21-17-20(23-24-21)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,24)
InChIKeyCJYYUHFNBAJJFL-UHFFFAOYSA-N
XLogP3.36
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
CID 53180973
1-[4-[5-(3,4-dimethylphenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 91914495
2-(2-methylphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
CID 75527246
2-(4-methoxyphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
CID 75527219
2-(4-ethoxyphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
CID 75527263
2-(4-methoxyphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]ethanone
CID 91887600
3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060327
1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110645862
1-(5-phenyl-1H-pyrazol-3-yl)piperazine
CID 55146910
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 56699712
(3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 91914523
2-(2-chloro-6-fluorophenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]ethanone
CID 91904653

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one (CID 75527247) is 3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1.
What is the InChIKey of 3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is CJYYUHFNBAJJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(12-11-18-7-3-1-4-8-18)26-15-13-25(14-16-26)21-17-20(23-24-21)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,24).
What are the key properties of 3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one?
3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 360.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 75527247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).