1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone

C12H21N5O — CID 55206182

IUPAC1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCn2ccc(N)n2)CC1
InChIInChI=1S/C12H21N5O/c1-11(18)16-9-7-15(8-10-16)4-2-5-17-6-3-12(13)14-17/h3,6H,2,4-5,7-10H2,1H3,(H2,13,14)
InChIKeyWCUSMBSHSPWIBJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.02
Rot. Bonds4

About 1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone

1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone (PubChem CID 55206182) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone
PubChem CID55206182
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCn2ccc(N)n2)CC1
InChIInChI=1S/C12H21N5O/c1-11(18)16-9-7-15(8-10-16)4-2-5-17-6-3-12(13)14-17/h3,6H,2,4-5,7-10H2,1H3,(H2,13,14)
InChIKeyWCUSMBSHSPWIBJ-UHFFFAOYSA-N
XLogP0.02
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone (CID 55206182) is 1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCCn2ccc(N)n2)CC1.
What is the InChIKey of 1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone?
The InChIKey is WCUSMBSHSPWIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-11(18)16-9-7-15(8-10-16)4-2-5-17-6-3-12(13)14-17/h3,6H,2,4-5,7-10H2,1H3,(H2,13,14).
What are the key properties of 1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone?
1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone has a molecular weight of 251.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-aminopyrazol-1-yl)propyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55206182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).