5-(difluoromethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one

C8H12F2N2O — CID 66020858

IUPAC5-(difluoromethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one
SMILESCC(C)Cn1[nH]c(C(F)F)cc1=O
InChIInChI=1S/C8H12F2N2O/c1-5(2)4-12-7(13)3-6(11-12)8(9)10/h3,5,8,11H,4H2,1-2H3
InChIKeyQEIDBRSNJAMUQV-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.77
Rot. Bonds3

About 5-(difluoromethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one

5-(difluoromethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one (PubChem CID 66020858) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one
PubChem CID66020858
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name5-(difluoromethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one
SMILESCC(C)Cn1[nH]c(C(F)F)cc1=O
InChIInChI=1S/C8H12F2N2O/c1-5(2)4-12-7(13)3-6(11-12)8(9)10/h3,5,8,11H,4H2,1-2H3
InChIKeyQEIDBRSNJAMUQV-UHFFFAOYSA-N
XLogP1.77
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(difluoromethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one 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 5-(difluoromethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one?
The IUPAC name of 5-(difluoromethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one (CID 66020858) is 5-(difluoromethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-(difluoromethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-(difluoromethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one is CC(C)Cn1[nH]c(C(F)F)cc1=O.
What is the InChIKey of 5-(difluoromethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one?
The InChIKey is QEIDBRSNJAMUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-5(2)4-12-7(13)3-6(11-12)8(9)10/h3,5,8,11H,4H2,1-2H3.
What are the key properties of 5-(difluoromethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one?
5-(difluoromethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one has a molecular weight of 190.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66020858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).