(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one

C17H22N4O — CID 94004421

IUPAC(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCc1cccc(N2CCN(C(=O)[C@H](C)n3cccn3)CC2)c1
InChIInChI=1S/C17H22N4O/c1-14-5-3-6-16(13-14)19-9-11-20(12-10-19)17(22)15(2)21-8-4-7-18-21/h3-8,13,15H,9-12H2,1-2H3/t15-/m0/s1
InChIKeyLZLGKSAFGOBMGD-HNNXBMFYSA-N
MW298.39 g/mol
LogP2.10
Rot. Bonds3

About (2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one

(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (PubChem CID 94004421) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
PubChem CID94004421
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCc1cccc(N2CCN(C(=O)[C@H](C)n3cccn3)CC2)c1
InChIInChI=1S/C17H22N4O/c1-14-5-3-6-16(13-14)19-9-11-20(12-10-19)17(22)15(2)21-8-4-7-18-21/h3-8,13,15H,9-12H2,1-2H3/t15-/m0/s1
InChIKeyLZLGKSAFGOBMGD-HNNXBMFYSA-N
XLogP2.10
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 94068052
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 24697448
2-amino-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 24695341
1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 51076824
1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 51077127
1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 122333383
N-[3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl]acetamide
CID 43034873
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 34950568
1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 122336193
(2S)-2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119837587
2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 20993320
2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317777

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of (2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (CID 94004421) is (2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for (2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for (2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is Cc1cccc(N2CCN(C(=O)[C@H](C)n3cccn3)CC2)c1.
What is the InChIKey of (2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The InChIKey is LZLGKSAFGOBMGD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14-5-3-6-16(13-14)19-9-11-20(12-10-19)17(22)15(2)21-8-4-7-18-21/h3-8,13,15H,9-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one has a molecular weight of 298.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 94004421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).