2-pentan-2-yl-1H-pyrazol-5-one

C8H14N2O — CID 89063550

IUPAC2-pentan-2-yl-1H-pyrazol-5-one
SMILESCCCC(C)n1ccc(=O)[nH]1
InChIInChI=1S/C8H14N2O/c1-3-4-7(2)10-6-5-8(11)9-10/h5-7H,3-4H2,1-2H3,(H,9,11)
InChIKeyQTAVBRKUFDZHOD-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.54
Rot. Bonds3

About 2-pentan-2-yl-1H-pyrazol-5-one

2-pentan-2-yl-1H-pyrazol-5-one (PubChem CID 89063550) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-pentan-2-yl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-pentan-2-yl-1H-pyrazol-5-one
PubChem CID89063550
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-pentan-2-yl-1H-pyrazol-5-one
SMILESCCCC(C)n1ccc(=O)[nH]1
InChIInChI=1S/C8H14N2O/c1-3-4-7(2)10-6-5-8(11)9-10/h5-7H,3-4H2,1-2H3,(H,9,11)
InChIKeyQTAVBRKUFDZHOD-UHFFFAOYSA-N
XLogP1.54
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yl-1H-pyrazol-5-one?
The IUPAC name of 2-pentan-2-yl-1H-pyrazol-5-one (CID 89063550) is 2-pentan-2-yl-1H-pyrazol-5-one.
What is the SMILES notation for 2-pentan-2-yl-1H-pyrazol-5-one?
The canonical SMILES for 2-pentan-2-yl-1H-pyrazol-5-one is CCCC(C)n1ccc(=O)[nH]1.
What is the InChIKey of 2-pentan-2-yl-1H-pyrazol-5-one?
The InChIKey is QTAVBRKUFDZHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-7(2)10-6-5-8(11)9-10/h5-7H,3-4H2,1-2H3,(H,9,11).
What are the key properties of 2-pentan-2-yl-1H-pyrazol-5-one?
2-pentan-2-yl-1H-pyrazol-5-one has a molecular weight of 154.21 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-1H-pyrazol-5-one is sourced from PubChem (CID 89063550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).