2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone

C13H23N5O — CID 43445186

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cn2nc(C)c(N)c2C)CC1
InChIInChI=1S/C13H23N5O/c1-4-16-5-7-17(8-6-16)12(19)9-18-11(3)13(14)10(2)15-18/h4-9,14H2,1-3H3
InChIKeyGFEKSPSBNLYSDC-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.25
Rot. Bonds3

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone

2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 43445186) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID43445186
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cn2nc(C)c(N)c2C)CC1
InChIInChI=1S/C13H23N5O/c1-4-16-5-7-17(8-6-16)12(19)9-18-11(3)13(14)10(2)15-18/h4-9,14H2,1-3H3
InChIKeyGFEKSPSBNLYSDC-UHFFFAOYSA-N
XLogP0.25
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone
CID 43445180
methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate
CID 61138194
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(1,4-thiazepan-4-yl)ethanone
CID 61418370
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone
CID 65283507
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61320656
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43502718
7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095527
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107390267
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104966869
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 43382384
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62124766
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 39891679

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone (CID 43445186) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)Cn2nc(C)c(N)c2C)CC1.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is GFEKSPSBNLYSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-16-5-7-17(8-6-16)12(19)9-18-11(3)13(14)10(2)15-18/h4-9,14H2,1-3H3.
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 43445186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).