2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone

C18H24N4O2 — CID 124983690

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc([C@H]2CNCCN2C(=O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C18H24N4O2/c1-13-10-14(2)22(20-13)12-18(23)21-9-8-19-11-17(21)15-4-6-16(24-3)7-5-15/h4-7,10,17,19H,8-9,11-12H2,1-3H3/t17-/m1/s1
InChIKeyNFQABUMVKVOGCE-QGZVFWFLSA-N
MW328.42 g/mol
LogP1.68
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 124983690) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID124983690
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc([C@H]2CNCCN2C(=O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C18H24N4O2/c1-13-10-14(2)22(20-13)12-18(23)21-9-8-19-11-17(21)15-4-6-16(24-3)7-5-15/h4-7,10,17,19H,8-9,11-12H2,1-3H3/t17-/m1/s1
InChIKeyNFQABUMVKVOGCE-QGZVFWFLSA-N
XLogP1.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124940745
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 120738810
3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 124983434
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109408
3-[2-[2-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110109396
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone
CID 125026813
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 124941836
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 125013128
4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 124953102
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 124958227

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone (CID 124983690) is 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccc([C@H]2CNCCN2C(=O)Cn2nc(C)cc2C)cc1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is NFQABUMVKVOGCE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-10-14(2)22(20-13)12-18(23)21-9-8-19-11-17(21)15-4-6-16(24-3)7-5-15/h4-7,10,17,19H,8-9,11-12H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 328.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 124983690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).