1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one

C16H28N4O — CID 126767368

IUPAC1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one
SMILESCCCC(C(=O)N1CCN(c2cnn(C)c2)CC1)C(C)C
InChIInChI=1S/C16H28N4O/c1-5-6-15(13(2)3)16(21)20-9-7-19(8-10-20)14-11-17-18(4)12-14/h11-13,15H,5-10H2,1-4H3
InChIKeyGSFOMIXNABPBOC-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.14
Rot. Bonds5

About 1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one

1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one (PubChem CID 126767368) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one.

Molecular Properties

Compound Name1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one
PubChem CID126767368
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one
SMILESCCCC(C(=O)N1CCN(c2cnn(C)c2)CC1)C(C)C
InChIInChI=1S/C16H28N4O/c1-5-6-15(13(2)3)16(21)20-9-7-19(8-10-20)14-11-17-18(4)12-14/h11-13,15H,5-10H2,1-4H3
InChIKeyGSFOMIXNABPBOC-UHFFFAOYSA-N
XLogP2.14
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 119887328
N-(1-ethylsulfonylpropan-2-yl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 126793104
2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone
CID 119887348
7-amino-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]heptan-1-one
CID 119887294
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 124568412
[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 128985019
4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 154739436
N-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 154847647
3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982806
2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090
2-(aminomethyl)-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 65227347
[(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 129399632

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one?
The IUPAC name of 1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one (CID 126767368) is 1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one.
What is the SMILES notation for 1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one?
The canonical SMILES for 1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one is CCCC(C(=O)N1CCN(c2cnn(C)c2)CC1)C(C)C.
What is the InChIKey of 1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one?
The InChIKey is GSFOMIXNABPBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-6-15(13(2)3)16(21)20-9-7-19(8-10-20)14-11-17-18(4)12-14/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one?
1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one has a molecular weight of 292.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-2-propan-2-ylpentan-1-one is sourced from PubChem (CID 126767368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).