5-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrazol-3-one

C7H7F5N2O — CID 167067592

IUPAC5-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrazol-3-one
SMILESCn1[nH]c(C(C)(F)F)c(C(F)(F)F)c1=O
InChIInChI=1S/C7H7F5N2O/c1-6(8,9)4-3(7(10,11)12)5(15)14(2)13-4/h13H,1-2H3
InChIKeyUHXYDDNMXYNSMX-UHFFFAOYSA-N
MW230.14 g/mol
LogP1.84
Rot. Bonds1

About 5-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrazol-3-one

5-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrazol-3-one (PubChem CID 167067592) has the molecular formula C7H7F5N2O and a molecular weight of 230.14 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrazol-3-one
PubChem CID167067592
Molecular FormulaC7H7F5N2O
Molecular Weight230.14 g/mol
Exact Mass230.05
IUPAC Name5-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrazol-3-one
SMILESCn1[nH]c(C(C)(F)F)c(C(F)(F)F)c1=O
InChIInChI=1S/C7H7F5N2O/c1-6(8,9)4-3(7(10,11)12)5(15)14(2)13-4/h13H,1-2H3
InChIKeyUHXYDDNMXYNSMX-UHFFFAOYSA-N
XLogP1.84
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-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-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrazol-3-one?
The IUPAC name of 5-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrazol-3-one (CID 167067592) is 5-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrazol-3-one is Cn1[nH]c(C(C)(F)F)c(C(F)(F)F)c1=O.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrazol-3-one?
The InChIKey is UHXYDDNMXYNSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5N2O/c1-6(8,9)4-3(7(10,11)12)5(15)14(2)13-4/h13H,1-2H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrazol-3-one?
5-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrazol-3-one has a molecular weight of 230.14 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 167067592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).