4-ethyl-2,3-dimethyl-1H-pyrazol-5-one

C7H12N2O — CID 11051741

IUPAC4-ethyl-2,3-dimethyl-1H-pyrazol-5-one
SMILESCCc1c(C)n(C)[nH]c1=O
InChIInChI=1S/C7H12N2O/c1-4-6-5(2)9(3)8-7(6)10/h4H2,1-3H3,(H,8,10)
InChIKeyXAKZJYGYYLBZIK-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.58
Rot. Bonds1

About 4-ethyl-2,3-dimethyl-1H-pyrazol-5-one

4-ethyl-2,3-dimethyl-1H-pyrazol-5-one (PubChem CID 11051741) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-ethyl-2,3-dimethyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-ethyl-2,3-dimethyl-1H-pyrazol-5-one
PubChem CID11051741
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-ethyl-2,3-dimethyl-1H-pyrazol-5-one
SMILESCCc1c(C)n(C)[nH]c1=O
InChIInChI=1S/C7H12N2O/c1-4-6-5(2)9(3)8-7(6)10/h4H2,1-3H3,(H,8,10)
InChIKeyXAKZJYGYYLBZIK-UHFFFAOYSA-N
XLogP0.58
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dimethyl-1H-pyrazol-5-one?
The IUPAC name of 4-ethyl-2,3-dimethyl-1H-pyrazol-5-one (CID 11051741) is 4-ethyl-2,3-dimethyl-1H-pyrazol-5-one.
What is the SMILES notation for 4-ethyl-2,3-dimethyl-1H-pyrazol-5-one?
The canonical SMILES for 4-ethyl-2,3-dimethyl-1H-pyrazol-5-one is CCc1c(C)n(C)[nH]c1=O.
What is the InChIKey of 4-ethyl-2,3-dimethyl-1H-pyrazol-5-one?
The InChIKey is XAKZJYGYYLBZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-6-5(2)9(3)8-7(6)10/h4H2,1-3H3,(H,8,10).
What are the key properties of 4-ethyl-2,3-dimethyl-1H-pyrazol-5-one?
4-ethyl-2,3-dimethyl-1H-pyrazol-5-one has a molecular weight of 140.19 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dimethyl-1H-pyrazol-5-one is sourced from PubChem (CID 11051741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).