1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone

C13H23N5O — CID 103006184

IUPAC1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone
SMILESCN1CCN(C(=O)CNCCc2ccnn2C)CC1
InChIInChI=1S/C13H23N5O/c1-16-7-9-18(10-8-16)13(19)11-14-5-3-12-4-6-15-17(12)2/h4,6,14H,3,5,7-11H2,1-2H3
InChIKeyKNGULAWKHUXMCI-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.67
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone

1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone (PubChem CID 103006184) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone
PubChem CID103006184
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone
SMILESCN1CCN(C(=O)CNCCc2ccnn2C)CC1
InChIInChI=1S/C13H23N5O/c1-16-7-9-18(10-8-16)13(19)11-14-5-3-12-4-6-15-17(12)2/h4,6,14H,3,5,7-11H2,1-2H3
InChIKeyKNGULAWKHUXMCI-UHFFFAOYSA-N
XLogP-0.67
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 103000916
3-[2-(2-methylpyrazol-3-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 103002033
4-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-amine
CID 103001943
2-(1-methylpiperidin-4-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103002255
2-[2-(3-fluorophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 43401971
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
CID 103001512
3-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 103009433
N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 99833597
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 103006710
1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone
CID 54934696

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone (CID 103006184) is 1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone is CN1CCN(C(=O)CNCCc2ccnn2C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone?
The InChIKey is KNGULAWKHUXMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-16-7-9-18(10-8-16)13(19)11-14-5-3-12-4-6-15-17(12)2/h4,6,14H,3,5,7-11H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone?
1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone has a molecular weight of 265.36 g/mol, XLogP of -0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone is sourced from PubChem (CID 103006184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).