1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone

C23H28N4O — CID 90508787

IUPAC1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
SMILESCc1cc(C)n(CCN2CCN(C(=O)Cc3cccc4ccccc34)CC2)n1
InChIInChI=1S/C23H28N4O/c1-18-16-19(2)27(24-18)15-12-25-10-13-26(14-11-25)23(28)17-21-8-5-7-20-6-3-4-9-22(20)21/h3-9,16H,10-15,17H2,1-2H3
InChIKeyMBYYKXGJPUSFCZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.04
Rot. Bonds5

About 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone

1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone (PubChem CID 90508787) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
PubChem CID90508787
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
SMILESCc1cc(C)n(CCN2CCN(C(=O)Cc3cccc4ccccc34)CC2)n1
InChIInChI=1S/C23H28N4O/c1-18-16-19(2)27(24-18)15-12-25-10-13-26(14-11-25)23(28)17-21-8-5-7-20-6-3-4-9-22(20)21/h3-9,16H,10-15,17H2,1-2H3
InChIKeyMBYYKXGJPUSFCZ-UHFFFAOYSA-N
XLogP3.04
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 90508842
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 90533764
3-(benzenesulfonyl)-1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90508846
2-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 90508830
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 122339228
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 47084944
3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile
CID 54788097
(3-chlorophenyl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 52907382
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 90508799
1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 90508768
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,4-diazepan-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 71790579

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone?
The IUPAC name of 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone (CID 90508787) is 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone is Cc1cc(C)n(CCN2CCN(C(=O)Cc3cccc4ccccc34)CC2)n1.
What is the InChIKey of 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone?
The InChIKey is MBYYKXGJPUSFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-18-16-19(2)27(24-18)15-12-25-10-13-26(14-11-25)23(28)17-21-8-5-7-20-6-3-4-9-22(20)21/h3-9,16H,10-15,17H2,1-2H3.
What are the key properties of 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone?
1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone has a molecular weight of 376.50 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone is sourced from PubChem (CID 90508787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).