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

C12H10ClF3N2O2 — CID 4192202

IUPAC(3-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone
SMILESC=C1CC(O)(C(F)(F)F)N(C(=O)c2cccc(Cl)c2)N1
InChIInChI=1S/C12H10ClF3N2O2/c1-7-6-11(20,12(14,15)16)18(17-7)10(19)8-3-2-4-9(13)5-8/h2-5,17,20H,1,6H2
InChIKeyIWHISPBGDWJTRP-UHFFFAOYSA-N
MW306.67 g/mol
LogP2.46
Rot. Bonds1

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

(3-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone (PubChem CID 4192202) has the molecular formula C12H10ClF3N2O2 and a molecular weight of 306.67 g/mol. Its IUPAC name is (3-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone
PubChem CID4192202
Molecular FormulaC12H10ClF3N2O2
Molecular Weight306.67 g/mol
Exact Mass306.04
IUPAC Name(3-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone
SMILESC=C1CC(O)(C(F)(F)F)N(C(=O)c2cccc(Cl)c2)N1
InChIInChI=1S/C12H10ClF3N2O2/c1-7-6-11(20,12(14,15)16)18(17-7)10(19)8-3-2-4-9(13)5-8/h2-5,17,20H,1,6H2
InChIKeyIWHISPBGDWJTRP-UHFFFAOYSA-N
XLogP2.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.67
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-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

3-chloro-N'-[2-(trifluoroacetyl)-1-cyclopenten-1-yl]benzohydrazide
CID 2869286
[(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
(4-chlorophenyl)-[(3S)-3-hydroxy-3,5-bis(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1915771

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone (CID 4192202) is (3-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone is C=C1CC(O)(C(F)(F)F)N(C(=O)c2cccc(Cl)c2)N1.
What is the InChIKey of (3-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone?
The InChIKey is IWHISPBGDWJTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O2/c1-7-6-11(20,12(14,15)16)18(17-7)10(19)8-3-2-4-9(13)5-8/h2-5,17,20H,1,6H2.
What are the key properties of (3-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone?
(3-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone has a molecular weight of 306.67 g/mol, XLogP of 2.46, 1 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-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone is sourced from PubChem (CID 4192202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).