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

C9H14N4O — CID 91623586

IUPAC4-(2-pyrazol-1-ylethyl)piperazin-2-one
SMILESO=C1CN(CCn2cccn2)CCN1
InChIInChI=1S/C9H14N4O/c14-9-8-12(5-3-10-9)6-7-13-4-1-2-11-13/h1-2,4H,3,5-8H2,(H,10,14)
InChIKeyPRHPYNYHWMRFEJ-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.69
Rot. Bonds3

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

4-(2-pyrazol-1-ylethyl)piperazin-2-one (PubChem CID 91623586) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-(2-pyrazol-1-ylethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-pyrazol-1-ylethyl)piperazin-2-one
PubChem CID91623586
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-(2-pyrazol-1-ylethyl)piperazin-2-one
SMILESO=C1CN(CCn2cccn2)CCN1
InChIInChI=1S/C9H14N4O/c14-9-8-12(5-3-10-9)6-7-13-4-1-2-11-13/h1-2,4H,3,5-8H2,(H,10,14)
InChIKeyPRHPYNYHWMRFEJ-UHFFFAOYSA-N
XLogP-0.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrazol-1-ylethyl)piperazin-2-one?
The IUPAC name of 4-(2-pyrazol-1-ylethyl)piperazin-2-one (CID 91623586) is 4-(2-pyrazol-1-ylethyl)piperazin-2-one.
What is the SMILES notation for 4-(2-pyrazol-1-ylethyl)piperazin-2-one?
The canonical SMILES for 4-(2-pyrazol-1-ylethyl)piperazin-2-one is O=C1CN(CCn2cccn2)CCN1.
What is the InChIKey of 4-(2-pyrazol-1-ylethyl)piperazin-2-one?
The InChIKey is PRHPYNYHWMRFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9-8-12(5-3-10-9)6-7-13-4-1-2-11-13/h1-2,4H,3,5-8H2,(H,10,14).
What are the key properties of 4-(2-pyrazol-1-ylethyl)piperazin-2-one?
4-(2-pyrazol-1-ylethyl)piperazin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrazol-1-ylethyl)piperazin-2-one is sourced from PubChem (CID 91623586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).