1-(2-piperazin-1-ylethyl)pyrazol-4-ol

C9H16N4O — CID 82399492

IUPAC1-(2-piperazin-1-ylethyl)pyrazol-4-ol
SMILESOc1cnn(CCN2CCNCC2)c1
InChIInChI=1S/C9H16N4O/c14-9-7-11-13(8-9)6-5-12-3-1-10-2-4-12/h7-8,10,14H,1-6H2
InChIKeyQZJGVPXBFWLPSI-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.51
Rot. Bonds3

About 1-(2-piperazin-1-ylethyl)pyrazol-4-ol

1-(2-piperazin-1-ylethyl)pyrazol-4-ol (PubChem CID 82399492) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylethyl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(2-piperazin-1-ylethyl)pyrazol-4-ol
PubChem CID82399492
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-(2-piperazin-1-ylethyl)pyrazol-4-ol
SMILESOc1cnn(CCN2CCNCC2)c1
InChIInChI=1S/C9H16N4O/c14-9-7-11-13(8-9)6-5-12-3-1-10-2-4-12/h7-8,10,14H,1-6H2
InChIKeyQZJGVPXBFWLPSI-UHFFFAOYSA-N
XLogP-0.51
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylethyl)pyrazol-4-ol?
The IUPAC name of 1-(2-piperazin-1-ylethyl)pyrazol-4-ol (CID 82399492) is 1-(2-piperazin-1-ylethyl)pyrazol-4-ol.
What is the SMILES notation for 1-(2-piperazin-1-ylethyl)pyrazol-4-ol?
The canonical SMILES for 1-(2-piperazin-1-ylethyl)pyrazol-4-ol is Oc1cnn(CCN2CCNCC2)c1.
What is the InChIKey of 1-(2-piperazin-1-ylethyl)pyrazol-4-ol?
The InChIKey is QZJGVPXBFWLPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c14-9-7-11-13(8-9)6-5-12-3-1-10-2-4-12/h7-8,10,14H,1-6H2.
What are the key properties of 1-(2-piperazin-1-ylethyl)pyrazol-4-ol?
1-(2-piperazin-1-ylethyl)pyrazol-4-ol has a molecular weight of 196.25 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylethyl)pyrazol-4-ol is sourced from PubChem (CID 82399492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).