(3-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone

C12H9ClF4N2O2 — CID 5018175

IUPAC(3-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1NC(=C(F)F)CC1(O)C(F)F
InChIInChI=1S/C12H9ClF4N2O2/c13-7-3-1-2-6(4-7)10(20)19-12(21,11(16)17)5-8(18-19)9(14)15/h1-4,11,18,21H,5H2
InChIKeyNUZXHJAMAHYYGC-UHFFFAOYSA-N
MW324.66 g/mol
LogP2.75
Rot. Bonds2

About (3-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone

(3-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone (PubChem CID 5018175) has the molecular formula C12H9ClF4N2O2 and a molecular weight of 324.66 g/mol. Its IUPAC name is (3-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone
PubChem CID5018175
Molecular FormulaC12H9ClF4N2O2
Molecular Weight324.66 g/mol
Exact Mass324.03
IUPAC Name(3-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1NC(=C(F)F)CC1(O)C(F)F
InChIInChI=1S/C12H9ClF4N2O2/c13-7-3-1-2-6(4-7)10(20)19-12(21,11(16)17)5-8(18-19)9(14)15/h1-4,11,18,21H,5H2
InChIKeyNUZXHJAMAHYYGC-UHFFFAOYSA-N
XLogP2.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.66
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(2-bromophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone
CID 4748142
[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone
CID 4748365
(3-chlorophenyl)-[3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]methanone
CID 5129504
[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone
CID 4748601
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 119703799
N-[1-(3-chlorophenyl)ethylideneamino]-2,2-difluoroacetamide
CID 154807613
(3-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366065
(3-chlorophenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone
CID 4743763
(3-chlorophenyl)-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 139028979
(2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119278856
(3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 141178418

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone (CID 5018175) is (3-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1NC(=C(F)F)CC1(O)C(F)F.
What is the InChIKey of (3-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone?
The InChIKey is NUZXHJAMAHYYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF4N2O2/c13-7-3-1-2-6(4-7)10(20)19-12(21,11(16)17)5-8(18-19)9(14)15/h1-4,11,18,21H,5H2.
What are the key properties of (3-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone?
(3-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone has a molecular weight of 324.66 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone is sourced from PubChem (CID 5018175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).