1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone

C17H22N4O — CID 71877362

IUPAC1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
SMILESCC1CN(C)CCN1C(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H22N4O/c1-14-12-19(2)8-9-20(14)17(22)10-15-11-18-21(13-15)16-6-4-3-5-7-16/h3-7,11,13-14H,8-10,12H2,1-2H3
InChIKeyYKLBJVNYERUYFG-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.58
Rot. Bonds3

About 1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone

1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone (PubChem CID 71877362) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
PubChem CID71877362
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
SMILESCC1CN(C)CCN1C(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H22N4O/c1-14-12-19(2)8-9-20(14)17(22)10-15-11-18-21(13-15)16-6-4-3-5-7-16/h3-7,11,13-14H,8-10,12H2,1-2H3
InChIKeyYKLBJVNYERUYFG-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 46458650
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CID 124731950
1-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone
CID 95764764
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 51336206
N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167828406
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CID 119400257
(3S,4S)-1-[2-(1-phenylpyrazol-4-yl)acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951779
1-(2,4-dimethylpiperazin-1-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone
CID 71877360
1-[(2R)-2,4-dimethylpiperazin-1-yl]-2-(5-methyl-1-phenyltriazol-4-yl)ethanone
CID 97066772
2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 110707760
2-(3-aminophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 114085754
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(1-phenylpyrazol-4-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone (CID 71877362) is 1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone is CC1CN(C)CCN1C(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone?
The InChIKey is YKLBJVNYERUYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14-12-19(2)8-9-20(14)17(22)10-15-11-18-21(13-15)16-6-4-3-5-7-16/h3-7,11,13-14H,8-10,12H2,1-2H3.
What are the key properties of 1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone?
1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone has a molecular weight of 298.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone is sourced from PubChem (CID 71877362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).