2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone

C22H26N4O2 — CID 3160405

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCOc1ccc(N2CCN(CC(=O)N3N=CCC3c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-28-20-9-7-19(8-10-20)25-15-13-24(14-16-25)17-22(27)26-21(11-12-23-26)18-5-3-2-4-6-18/h2-10,12,21H,11,13-17H2,1H3
InChIKeySWROBUSFZIRUNE-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.78
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone

2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 3160405) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID3160405
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCOc1ccc(N2CCN(CC(=O)N3N=CCC3c3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-28-20-9-7-19(8-10-20)25-15-13-24(14-16-25)17-22(27)26-21(11-12-23-26)18-5-3-2-4-6-18/h2-10,12,21H,11,13-17H2,1H3
InChIKeySWROBUSFZIRUNE-UHFFFAOYSA-N
XLogP2.78
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 3160405) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone is COc1ccc(N2CCN(CC(=O)N3N=CCC3c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is SWROBUSFZIRUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-28-20-9-7-19(8-10-20)25-15-13-24(14-16-25)17-22(27)26-21(11-12-23-26)18-5-3-2-4-6-18/h2-10,12,21H,11,13-17H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 378.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 3160405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).