1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone

C16H24N6O — CID 128994525

IUPAC1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2cnn(C)c2)CC1c1nccn1C
InChIInChI=1S/C16H24N6O/c1-4-21-7-8-22(12-14(21)16-17-5-6-19(16)2)15(23)9-13-10-18-20(3)11-13/h5-6,10-11,14H,4,7-9,12H2,1-3H3
InChIKeyWIWJOGJJDASYHM-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.60
Rot. Bonds4

About 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone

1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 128994525) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID128994525
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2cnn(C)c2)CC1c1nccn1C
InChIInChI=1S/C16H24N6O/c1-4-21-7-8-22(12-14(21)16-17-5-6-19(16)2)15(23)9-13-10-18-20(3)11-13/h5-6,10-11,14H,4,7-9,12H2,1-3H3
InChIKeyWIWJOGJJDASYHM-UHFFFAOYSA-N
XLogP0.60
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 129335168
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 129332688
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 129007004
1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 129338796
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 129000463
1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 129335910
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
CID 129340403
[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 129341691
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129329650
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone
CID 128997527
4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 128968436
1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[(2S,5R)-5-methyloxolan-2-yl]propan-1-one
CID 129339745

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone (CID 128994525) is 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone is CCN1CCN(C(=O)Cc2cnn(C)c2)CC1c1nccn1C.
What is the InChIKey of 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is WIWJOGJJDASYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-4-21-7-8-22(12-14(21)16-17-5-6-19(16)2)15(23)9-13-10-18-20(3)11-13/h5-6,10-11,14H,4,7-9,12H2,1-3H3.
What are the key properties of 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone?
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 316.41 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 128994525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).