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

C12H10ClF3N2O2 — CID 5084488

IUPAC(4-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone
SMILESC=C1CC(O)(C(F)(F)F)N(C(=O)c2ccc(Cl)cc2)N1
InChIInChI=1S/C12H10ClF3N2O2/c1-7-6-11(20,12(14,15)16)18(17-7)10(19)8-2-4-9(13)5-3-8/h2-5,17,20H,1,6H2
InChIKeyHCCBUICNDNFCFE-UHFFFAOYSA-N
MW306.67 g/mol
LogP2.46
Rot. Bonds1

About (4-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone

(4-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone (PubChem CID 5084488) has the molecular formula C12H10ClF3N2O2 and a molecular weight of 306.67 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone
PubChem CID5084488
Molecular FormulaC12H10ClF3N2O2
Molecular Weight306.67 g/mol
Exact Mass306.04
IUPAC Name(4-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone
SMILESC=C1CC(O)(C(F)(F)F)N(C(=O)c2ccc(Cl)cc2)N1
InChIInChI=1S/C12H10ClF3N2O2/c1-7-6-11(20,12(14,15)16)18(17-7)10(19)8-2-4-9(13)5-3-8/h2-5,17,20H,1,6H2
InChIKeyHCCBUICNDNFCFE-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

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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-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone (CID 5084488) is (4-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone is C=C1CC(O)(C(F)(F)F)N(C(=O)c2ccc(Cl)cc2)N1.
What is the InChIKey of (4-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone?
The InChIKey is HCCBUICNDNFCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O2/c1-7-6-11(20,12(14,15)16)18(17-7)10(19)8-2-4-9(13)5-3-8/h2-5,17,20H,1,6H2.
What are the key properties of (4-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone?
(4-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 (4-chlorophenyl)-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]methanone is sourced from PubChem (CID 5084488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).