ethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate

C13H23N5O2 — CID 107876855

IUPACethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCCn2ccc(N)n2)CC1
InChIInChI=1S/C13H23N5O2/c1-2-20-13(19)17-10-8-16(9-11-17)5-3-6-18-7-4-12(14)15-18/h4,7H,2-3,5-6,8-11H2,1H3,(H2,14,15)
InChIKeyKINPHHOHLZHOFC-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.63
Rot. Bonds5

About ethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate

ethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate (PubChem CID 107876855) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate
PubChem CID107876855
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Nameethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCCn2ccc(N)n2)CC1
InChIInChI=1S/C13H23N5O2/c1-2-20-13(19)17-10-8-16(9-11-17)5-3-6-18-7-4-12(14)15-18/h4,7H,2-3,5-6,8-11H2,1H3,(H2,14,15)
InChIKeyKINPHHOHLZHOFC-UHFFFAOYSA-N
XLogP0.63
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone
CID 55206182
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl 4-hexylpiperazine-1-carboxylate
CID 78822686
1-[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470622
ethyl 4-(5-oxohexyl)piperazine-1-carboxylate
CID 107877302
ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
CID 10710086
2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide
CID 62113895
2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 54594517
benzyl 4-pentylpiperazine-1-carboxylate
CID 20795377
1-(3-ethylsulfonylpropyl)pyrazol-3-amine
CID 65093119
1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide
CID 22574275
ethyl 4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]piperazine-1-carboxylate
CID 47029520

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate (CID 107876855) is ethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CCCn2ccc(N)n2)CC1.
What is the InChIKey of ethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate?
The InChIKey is KINPHHOHLZHOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-2-20-13(19)17-10-8-16(9-11-17)5-3-6-18-7-4-12(14)15-18/h4,7H,2-3,5-6,8-11H2,1H3,(H2,14,15).
What are the key properties of ethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate?
ethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(3-aminopyrazol-1-yl)propyl]piperazine-1-carboxylate is sourced from PubChem (CID 107876855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).