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

C17H22N4O2 — CID 124941836

IUPAC(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc([C@H]2CNCCN2C(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C17H22N4O2/c1-12-15(11-20(2)19-12)17(22)21-9-8-18-10-16(21)13-4-6-14(23-3)7-5-13/h4-7,11,16,18H,8-10H2,1-3H3/t16-/m1/s1
InChIKeyAQFKXFMWRKFWEP-MRXNPFEDSA-N
MW314.39 g/mol
LogP1.52
Rot. Bonds3

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

(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 124941836) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID124941836
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc([C@H]2CNCCN2C(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C17H22N4O2/c1-12-15(11-20(2)19-12)17(22)21-9-8-18-10-16(21)13-4-6-14(23-3)7-5-13/h4-7,11,16,18H,8-10H2,1-3H3/t16-/m1/s1
InChIKeyAQFKXFMWRKFWEP-MRXNPFEDSA-N
XLogP1.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866771
[2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 110109389
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 124977561
isoquinolin-1-yl-[2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110109418
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124983690
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124940745
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 124978298
3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 124983434
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
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 136507950
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 (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 124941836) is (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc([C@H]2CNCCN2C(=O)c2cn(C)nc2C)cc1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is AQFKXFMWRKFWEP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-15(11-20(2)19-12)17(22)21-9-8-18-10-16(21)13-4-6-14(23-3)7-5-13/h4-7,11,16,18H,8-10H2,1-3H3/t16-/m1/s1.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 124941836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).