1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-phenoxypropan-1-one

C20H28N4O2 — CID 90508768

IUPAC1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-phenoxypropan-1-one
SMILESCc1cc(C)n(CCN2CCN(C(=O)C(C)Oc3ccccc3)CC2)n1
InChIInChI=1S/C20H28N4O2/c1-16-15-17(2)24(21-16)14-11-22-9-12-23(13-10-22)20(25)18(3)26-19-7-5-4-6-8-19/h4-8,15,18H,9-14H2,1-3H3
InChIKeyYOVKKELLESCNDM-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.11
Rot. Bonds6

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

1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-phenoxypropan-1-one (PubChem CID 90508768) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-phenoxypropan-1-one
PubChem CID90508768
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-phenoxypropan-1-one
SMILESCc1cc(C)n(CCN2CCN(C(=O)C(C)Oc3ccccc3)CC2)n1
InChIInChI=1S/C20H28N4O2/c1-16-15-17(2)24(21-16)14-11-22-9-12-23(13-10-22)20(25)18(3)26-19-7-5-4-6-8-19/h4-8,15,18H,9-14H2,1-3H3
InChIKeyYOVKKELLESCNDM-UHFFFAOYSA-N
XLogP2.11
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 90508842
2-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 90508830
1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 90508787
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 119064710
1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 17200498
2-[4-[2-(3-methylphenoxy)propanoyl]piperazin-1-yl]acetic acid
CID 119136172
2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one
CID 17375116
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 90508799
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,4-diazepan-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 71790579
2-(3-chlorophenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 43391609
(3-chlorophenyl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 52907382
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 71782689

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-phenoxypropan-1-one?
The IUPAC name of 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-phenoxypropan-1-one (CID 90508768) is 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-phenoxypropan-1-one?
The canonical SMILES for 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-phenoxypropan-1-one is Cc1cc(C)n(CCN2CCN(C(=O)C(C)Oc3ccccc3)CC2)n1.
What is the InChIKey of 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-phenoxypropan-1-one?
The InChIKey is YOVKKELLESCNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-16-15-17(2)24(21-16)14-11-22-9-12-23(13-10-22)20(25)18(3)26-19-7-5-4-6-8-19/h4-8,15,18H,9-14H2,1-3H3.
What are the key properties of 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-phenoxypropan-1-one?
1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-phenoxypropan-1-one has a molecular weight of 356.47 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 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-phenoxypropan-1-one is sourced from PubChem (CID 90508768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).