[3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methylphenyl)methanone

C14H15F3N2O2 — CID 4278882

IUPAC[3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methylphenyl)methanone
SMILESCC=C1CC(O)(C(F)(F)F)N(C(=O)c2ccc(C)cc2)N1
InChIInChI=1S/C14H15F3N2O2/c1-3-11-8-13(21,14(15,16)17)19(18-11)12(20)10-6-4-9(2)5-7-10/h3-7,18,21H,8H2,1-2H3
InChIKeyWNSMKSJARGONPF-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.50
Rot. Bonds1

About [3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methylphenyl)methanone

[3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 4278882) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is [3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methylphenyl)methanone
PubChem CID4278882
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name[3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methylphenyl)methanone
SMILESCC=C1CC(O)(C(F)(F)F)N(C(=O)c2ccc(C)cc2)N1
InChIInChI=1S/C14H15F3N2O2/c1-3-11-8-13(21,14(15,16)17)19(18-11)12(20)10-6-4-9(2)5-7-10/h3-7,18,21H,8H2,1-2H3
InChIKeyWNSMKSJARGONPF-UHFFFAOYSA-N
XLogP2.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methylphenyl)methanone (CID 4278882) is [3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methylphenyl)methanone is CC=C1CC(O)(C(F)(F)F)N(C(=O)c2ccc(C)cc2)N1.
What is the InChIKey of [3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is WNSMKSJARGONPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-3-11-8-13(21,14(15,16)17)19(18-11)12(20)10-6-4-9(2)5-7-10/h3-7,18,21H,8H2,1-2H3.
What are the key properties of [3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methylphenyl)methanone?
[3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 300.28 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 4278882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).