2-(3,4-dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone

C13H10Cl2F4N2O2 — CID 4748137

IUPAC2-(3,4-dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1NC(=C(F)F)CC1(O)C(F)F
InChIInChI=1S/C13H10Cl2F4N2O2/c14-7-2-1-6(3-8(7)15)4-10(22)21-13(23,12(18)19)5-9(20-21)11(16)17/h1-3,12,20,23H,4-5H2
InChIKeyLPTOPVQTEUEHFI-UHFFFAOYSA-N
MW373.13 g/mol
LogP3.33
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone

2-(3,4-dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone (PubChem CID 4748137) has the molecular formula C13H10Cl2F4N2O2 and a molecular weight of 373.13 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone
PubChem CID4748137
Molecular FormulaC13H10Cl2F4N2O2
Molecular Weight373.13 g/mol
Exact Mass372.01
IUPAC Name2-(3,4-dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1NC(=C(F)F)CC1(O)C(F)F
InChIInChI=1S/C13H10Cl2F4N2O2/c14-7-2-1-6(3-8(7)15)4-10(22)21-13(23,12(18)19)5-9(20-21)11(16)17/h1-3,12,20,23H,4-5H2
InChIKeyLPTOPVQTEUEHFI-UHFFFAOYSA-N
XLogP3.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.13
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone with MolForge

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Related Compounds

(3-Chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone
CID 4192202
(4-Chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone
CID 4220834
(3-Chlorophenyl)-[5-hydroxy-3-propylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone
CID 4243683
1-[5-(Difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]-2-phenylethanone
CID 4744831
1-[3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone
CID 4748136
(3-Chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone
CID 5018175
1-[3-Cyclopropylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-2-(3,4-dichlorophenyl)ethanone
CID 5052327
1-[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-(3,4-dichlorophenyl)ethanone
CID 5052328
(4-Chlorophenyl)-[3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]methanone
CID 5079553
(4-Chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone
CID 5084488
(3-Chlorophenyl)-[3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]methanone
CID 5129504

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone (CID 4748137) is 2-(3,4-dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone is O=C(Cc1ccc(Cl)c(Cl)c1)N1NC(=C(F)F)CC1(O)C(F)F.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone?
The InChIKey is LPTOPVQTEUEHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F4N2O2/c14-7-2-1-6(3-8(7)15)4-10(22)21-13(23,12(18)19)5-9(20-21)11(16)17/h1-3,12,20,23H,4-5H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone?
2-(3,4-dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone has a molecular weight of 373.13 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]ethanone is sourced from PubChem (CID 4748137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).