[4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone

C13H23N5O — CID 102809897

IUPAC[4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
SMILESCCc1nn(C)cc1C(=O)N1CCN(CCN)CC1
InChIInChI=1S/C13H23N5O/c1-3-12-11(10-16(2)15-12)13(19)18-8-6-17(5-4-14)7-9-18/h10H,3-9,14H2,1-2H3
InChIKeyFZKKKYNKEFMQAB-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.30
Rot. Bonds4

About [4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone

[4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone (PubChem CID 102809897) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
PubChem CID102809897
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name[4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
SMILESCCc1nn(C)cc1C(=O)N1CCN(CCN)CC1
InChIInChI=1S/C13H23N5O/c1-3-12-11(10-16(2)15-12)13(19)18-8-6-17(5-4-14)7-9-18/h10H,3-9,14H2,1-2H3
InChIKeyFZKKKYNKEFMQAB-UHFFFAOYSA-N
XLogP-0.30
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 103894061
2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanoic acid
CID 102810159
(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 102811050
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811080
(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 104920830
(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 103894192
(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103894434
(3-ethyl-1-methylpyrazol-4-yl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 102810985
4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
CID 19624067
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 62515821
[4-(2-aminoethyl)piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129011
4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 102810153

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone (CID 102809897) is [4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone is CCc1nn(C)cc1C(=O)N1CCN(CCN)CC1.
What is the InChIKey of [4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The InChIKey is FZKKKYNKEFMQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-12-11(10-16(2)15-12)13(19)18-8-6-17(5-4-14)7-9-18/h10H,3-9,14H2,1-2H3.
What are the key properties of [4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone?
[4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 102809897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).