methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate

C13H21N5O3 — CID 61138194

IUPACmethyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)Cn2nc(C)c(N)c2C)CC1
InChIInChI=1S/C13H21N5O3/c1-9-12(14)10(2)18(15-9)8-11(19)16-4-6-17(7-5-16)13(20)21-3/h4-8,14H2,1-3H3
InChIKeyQSCLCHQYERGBFM-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.01
Rot. Bonds2

About methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate

methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate (PubChem CID 61138194) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate
PubChem CID61138194
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Namemethyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)Cn2nc(C)c(N)c2C)CC1
InChIInChI=1S/C13H21N5O3/c1-9-12(14)10(2)18(15-9)8-11(19)16-4-6-17(7-5-16)13(20)21-3/h4-8,14H2,1-3H3
InChIKeyQSCLCHQYERGBFM-UHFFFAOYSA-N
XLogP-0.01
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 43445186
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-propylpiperazin-1-yl)ethanone
CID 43445180
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(1,4-thiazepan-4-yl)ethanone
CID 61418370
(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-(4,4-dimethylazepan-1-yl)ethanone
CID 65283507
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107390267
methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
CID 43445168
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43502718
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-piperidin-1-ylacetamide
CID 83012956
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
methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate
CID 107211589
[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61321425

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate (CID 61138194) is methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)Cn2nc(C)c(N)c2C)CC1.
What is the InChIKey of methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate?
The InChIKey is QSCLCHQYERGBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-9-12(14)10(2)18(15-9)8-11(19)16-4-6-17(7-5-16)13(20)21-3/h4-8,14H2,1-3H3.
What are the key properties of methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate?
methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate has a molecular weight of 295.34 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 61138194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).