2,4-diethyl-5-methyl-1H-pyrazol-3-one

C8H14N2O — CID 66022115

IUPAC2,4-diethyl-5-methyl-1H-pyrazol-3-one
SMILESCCc1c(C)[nH]n(CC)c1=O
InChIInChI=1S/C8H14N2O/c1-4-7-6(3)9-10(5-2)8(7)11/h9H,4-5H2,1-3H3
InChIKeyWAUZDTDRYYUSCK-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.07
Rot. Bonds2

About 2,4-diethyl-5-methyl-1H-pyrazol-3-one

2,4-diethyl-5-methyl-1H-pyrazol-3-one (PubChem CID 66022115) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,4-diethyl-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2,4-diethyl-5-methyl-1H-pyrazol-3-one
PubChem CID66022115
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2,4-diethyl-5-methyl-1H-pyrazol-3-one
SMILESCCc1c(C)[nH]n(CC)c1=O
InChIInChI=1S/C8H14N2O/c1-4-7-6(3)9-10(5-2)8(7)11/h9H,4-5H2,1-3H3
InChIKeyWAUZDTDRYYUSCK-UHFFFAOYSA-N
XLogP1.07
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2,4-diethyl-5-methyl-1H-pyrazol-3-one (CID 66022115) is 2,4-diethyl-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2,4-diethyl-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2,4-diethyl-5-methyl-1H-pyrazol-3-one is CCc1c(C)[nH]n(CC)c1=O.
What is the InChIKey of 2,4-diethyl-5-methyl-1H-pyrazol-3-one?
The InChIKey is WAUZDTDRYYUSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-7-6(3)9-10(5-2)8(7)11/h9H,4-5H2,1-3H3.
What are the key properties of 2,4-diethyl-5-methyl-1H-pyrazol-3-one?
2,4-diethyl-5-methyl-1H-pyrazol-3-one has a molecular weight of 154.21 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 66022115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).