2-ethyl-1H-pyrazol-5-one

C5H8N2O — CID 10931394

IUPAC2-ethyl-1H-pyrazol-5-one
SMILESCCn1ccc(=O)[nH]1
InChIInChI=1S/C5H8N2O/c1-2-7-4-3-5(8)6-7/h3-4H,2H2,1H3,(H,6,8)
InChIKeyFEMMUBXQRZJIIE-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.20
Rot. Bonds1

About 2-ethyl-1H-pyrazol-5-one

2-ethyl-1H-pyrazol-5-one (PubChem CID 10931394) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-ethyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-ethyl-1H-pyrazol-5-one
PubChem CID10931394
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-ethyl-1H-pyrazol-5-one
SMILESCCn1ccc(=O)[nH]1
InChIInChI=1S/C5H8N2O/c1-2-7-4-3-5(8)6-7/h3-4H,2H2,1H3,(H,6,8)
InChIKeyFEMMUBXQRZJIIE-UHFFFAOYSA-N
XLogP0.20
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1H-pyrazol-5-one?
The IUPAC name of 2-ethyl-1H-pyrazol-5-one (CID 10931394) is 2-ethyl-1H-pyrazol-5-one.
What is the SMILES notation for 2-ethyl-1H-pyrazol-5-one?
The canonical SMILES for 2-ethyl-1H-pyrazol-5-one is CCn1ccc(=O)[nH]1.
What is the InChIKey of 2-ethyl-1H-pyrazol-5-one?
The InChIKey is FEMMUBXQRZJIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-2-7-4-3-5(8)6-7/h3-4H,2H2,1H3,(H,6,8).
What are the key properties of 2-ethyl-1H-pyrazol-5-one?
2-ethyl-1H-pyrazol-5-one has a molecular weight of 112.13 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1H-pyrazol-5-one is sourced from PubChem (CID 10931394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).