2,5-dimethyl-1H-pyrazol-3-one;ethane

C7H14N2O — CID 143658196

IUPAC2,5-dimethyl-1H-pyrazol-3-one;ethane
SMILESCC.Cc1cc(=O)n(C)[nH]1
InChIInChI=1S/C5H8N2O.C2H6/c1-4-3-5(8)7(2)6-4;1-2/h3,6H,1-2H3;1-2H3
InChIKeyFMXLKUVZNSMVEY-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.05
Rot. Bonds

About 2,5-dimethyl-1H-pyrazol-3-one;ethane

2,5-dimethyl-1H-pyrazol-3-one;ethane (PubChem CID 143658196) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,5-dimethyl-1H-pyrazol-3-one;ethane.

Molecular Properties

Compound Name2,5-dimethyl-1H-pyrazol-3-one;ethane
PubChem CID143658196
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2,5-dimethyl-1H-pyrazol-3-one;ethane
SMILESCC.Cc1cc(=O)n(C)[nH]1
InChIInChI=1S/C5H8N2O.C2H6/c1-4-3-5(8)7(2)6-4;1-2/h3,6H,1-2H3;1-2H3
InChIKeyFMXLKUVZNSMVEY-UHFFFAOYSA-N
XLogP1.05
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-1H-pyrazol-3-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-pyrazol-3-one;ethane?
The IUPAC name of 2,5-dimethyl-1H-pyrazol-3-one;ethane (CID 143658196) is 2,5-dimethyl-1H-pyrazol-3-one;ethane.
What is the SMILES notation for 2,5-dimethyl-1H-pyrazol-3-one;ethane?
The canonical SMILES for 2,5-dimethyl-1H-pyrazol-3-one;ethane is CC.Cc1cc(=O)n(C)[nH]1.
What is the InChIKey of 2,5-dimethyl-1H-pyrazol-3-one;ethane?
The InChIKey is FMXLKUVZNSMVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.C2H6/c1-4-3-5(8)7(2)6-4;1-2/h3,6H,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-1H-pyrazol-3-one;ethane?
2,5-dimethyl-1H-pyrazol-3-one;ethane has a molecular weight of 142.20 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1H-pyrazol-3-one;ethane is sourced from PubChem (CID 143658196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).