2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol

C11H21N5O — CID 43554317

IUPAC2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol
SMILESCc1nn(C)c(N2CCN(CCO)CC2)c1N
InChIInChI=1S/C11H21N5O/c1-9-10(12)11(14(2)13-9)16-5-3-15(4-6-16)7-8-17/h17H,3-8,12H2,1-2H3
InChIKeyZJSIUAFREGDHJR-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.57
Rot. Bonds3

About 2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol

2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol (PubChem CID 43554317) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol
PubChem CID43554317
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol
SMILESCc1nn(C)c(N2CCN(CCO)CC2)c1N
InChIInChI=1S/C11H21N5O/c1-9-10(12)11(14(2)13-9)16-5-3-15(4-6-16)7-8-17/h17H,3-8,12H2,1-2H3
InChIKeyZJSIUAFREGDHJR-UHFFFAOYSA-N
XLogP-0.57
TPSA70.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol (CID 43554317) is 2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol is Cc1nn(C)c(N2CCN(CCO)CC2)c1N.
What is the InChIKey of 2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol?
The InChIKey is ZJSIUAFREGDHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-9-10(12)11(14(2)13-9)16-5-3-15(4-6-16)7-8-17/h17H,3-8,12H2,1-2H3.
What are the key properties of 2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol?
2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol has a molecular weight of 239.32 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 43554317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).