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

C12H9ClF4N2O2 — CID 4220834

IUPAC(4-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1NC(=C(F)F)CC1(O)C(F)F
InChIInChI=1S/C12H9ClF4N2O2/c13-7-3-1-6(2-4-7)10(20)19-12(21,11(16)17)5-8(18-19)9(14)15/h1-4,11,18,21H,5H2
InChIKeyQDULIXNAUZNGGY-UHFFFAOYSA-N
MW324.66 g/mol
LogP2.75
Rot. Bonds2

About (4-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone

(4-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone (PubChem CID 4220834) has the molecular formula C12H9ClF4N2O2 and a molecular weight of 324.66 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone
PubChem CID4220834
Molecular FormulaC12H9ClF4N2O2
Molecular Weight324.66 g/mol
Exact Mass324.03
IUPAC Name(4-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1NC(=C(F)F)CC1(O)C(F)F
InChIInChI=1S/C12H9ClF4N2O2/c13-7-3-1-6(2-4-7)10(20)19-12(21,11(16)17)5-8(18-19)9(14)15/h1-4,11,18,21H,5H2
InChIKeyQDULIXNAUZNGGY-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

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Related Compounds

4-chloro-N'-[2-(trifluoroacetyl)cyclopent-1-en-1-yl]benzohydrazide
CID 3147001
1-(4-Chlorobenzoyl)-3-pyrazolidinone
CID 1487858
4-chloro-N-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-1-(trifluoromethyl)ethyl]benzamide
CID 171981833
[(3S)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone
CID 1726857
[(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone
CID 1726858
(4-chlorophenyl)-[(3S)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1897403
(4-chlorophenyl)-[(3R)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1897404
[(3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-phenylmethanone
CID 1900357
[(3R)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-phenylmethanone
CID 1900358
4-chloro-N'-[(5R)-5-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide
CID 1912362
(3-chlorophenyl)-[(3S)-5-(4-fluorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1914583
(3-chlorophenyl)-[(3R)-5-(4-fluorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1914584

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone (CID 4220834) is (4-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1NC(=C(F)F)CC1(O)C(F)F.
What is the InChIKey of (4-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone?
The InChIKey is QDULIXNAUZNGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF4N2O2/c13-7-3-1-6(2-4-7)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 (4-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone?
(4-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 (4-chlorophenyl)-[5-(difluoromethyl)-3-(difluoromethylidene)-5-hydroxypyrazolidin-1-yl]methanone is sourced from PubChem (CID 4220834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).