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

C22H24N4O — CID 75527259

IUPAC2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1ccccc1
InChIInChI=1S/C22H24N4O/c1-17(18-8-4-2-5-9-18)22(27)26-14-12-25(13-15-26)21-16-20(23-24-21)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3,(H,23,24)
InChIKeyLJHHLEPUKOYGGW-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.53
Rot. Bonds4

About 2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one

2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 75527259) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
PubChem CID75527259
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1ccccc1
InChIInChI=1S/C22H24N4O/c1-17(18-8-4-2-5-9-18)22(27)26-14-12-25(13-15-26)21-16-20(23-24-21)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3,(H,23,24)
InChIKeyLJHHLEPUKOYGGW-UHFFFAOYSA-N
XLogP3.53
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one (CID 75527259) is 2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one is CC(C(=O)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is LJHHLEPUKOYGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17(18-8-4-2-5-9-18)22(27)26-14-12-25(13-15-26)21-16-20(23-24-21)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3,(H,23,24).
What are the key properties of 2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one?
2-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 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 75527259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).