3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one

C9H14N4O — CID 122573920

IUPAC3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one
SMILESCC1(C)NCCN(c2cn[nH]c2)C1=O
InChIInChI=1S/C9H14N4O/c1-9(2)8(14)13(4-3-10-9)7-5-11-12-6-7/h5-6,10H,3-4H2,1-2H3,(H,11,12)
InChIKeyRNKXHBCEQRDWHL-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.12
Rot. Bonds1

About 3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one

3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one (PubChem CID 122573920) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one
PubChem CID122573920
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one
SMILESCC1(C)NCCN(c2cn[nH]c2)C1=O
InChIInChI=1S/C9H14N4O/c1-9(2)8(14)13(4-3-10-9)7-5-11-12-6-7/h5-6,10H,3-4H2,1-2H3,(H,11,12)
InChIKeyRNKXHBCEQRDWHL-UHFFFAOYSA-N
XLogP0.12
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one (CID 122573920) is 3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one is CC1(C)NCCN(c2cn[nH]c2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one?
The InChIKey is RNKXHBCEQRDWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-9(2)8(14)13(4-3-10-9)7-5-11-12-6-7/h5-6,10H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one?
3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one has a molecular weight of 194.24 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1H-pyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 122573920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).