(3-chlorophenyl)-[5-hydroxy-3-propylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone

C14H14ClF3N2O2 — CID 4243683

IUPAC(3-chlorophenyl)-[5-hydroxy-3-propylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone
SMILESCCC=C1CC(O)(C(F)(F)F)N(C(=O)c2cccc(Cl)c2)N1
InChIInChI=1S/C14H14ClF3N2O2/c1-2-4-11-8-13(22,14(16,17)18)20(19-11)12(21)9-5-3-6-10(15)7-9/h3-7,19,22H,2,8H2,1H3
InChIKeyUDFIFYRMCGRRIJ-UHFFFAOYSA-N
MW334.73 g/mol
LogP3.24
Rot. Bonds2

About (3-chlorophenyl)-[5-hydroxy-3-propylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone

(3-chlorophenyl)-[5-hydroxy-3-propylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone (PubChem CID 4243683) has the molecular formula C14H14ClF3N2O2 and a molecular weight of 334.73 g/mol. Its IUPAC name is (3-chlorophenyl)-[5-hydroxy-3-propylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[5-hydroxy-3-propylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone
PubChem CID4243683
Molecular FormulaC14H14ClF3N2O2
Molecular Weight334.73 g/mol
Exact Mass334.07
IUPAC Name(3-chlorophenyl)-[5-hydroxy-3-propylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone
SMILESCCC=C1CC(O)(C(F)(F)F)N(C(=O)c2cccc(Cl)c2)N1
InChIInChI=1S/C14H14ClF3N2O2/c1-2-4-11-8-13(22,14(16,17)18)20(19-11)12(21)9-5-3-6-10(15)7-9/h3-7,19,22H,2,8H2,1H3
InChIKeyUDFIFYRMCGRRIJ-UHFFFAOYSA-N
XLogP3.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N'-[2-(trifluoroacetyl)-1-cyclopenten-1-yl]benzohydrazide
CID 2869286
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
(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
(3-chlorophenyl)-[(3S)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1915693
(3-chlorophenyl)-[(3R)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1915694

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[5-hydroxy-3-propylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[5-hydroxy-3-propylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone (CID 4243683) is (3-chlorophenyl)-[5-hydroxy-3-propylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[5-hydroxy-3-propylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[5-hydroxy-3-propylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone is CCC=C1CC(O)(C(F)(F)F)N(C(=O)c2cccc(Cl)c2)N1.
What is the InChIKey of (3-chlorophenyl)-[5-hydroxy-3-propylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone?
The InChIKey is UDFIFYRMCGRRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O2/c1-2-4-11-8-13(22,14(16,17)18)20(19-11)12(21)9-5-3-6-10(15)7-9/h3-7,19,22H,2,8H2,1H3.
What are the key properties of (3-chlorophenyl)-[5-hydroxy-3-propylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone?
(3-chlorophenyl)-[5-hydroxy-3-propylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone has a molecular weight of 334.73 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[5-hydroxy-3-propylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone is sourced from PubChem (CID 4243683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).