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

C18H15F3N2O2 — CID 4743410

IUPAC[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-phenylphenyl)methanone
SMILESC=C1CC(O)(C(F)(F)F)N(C(=O)c2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C18H15F3N2O2/c1-12-11-17(25,18(19,20)21)23(22-12)16(24)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,22,25H,1,11H2
InChIKeyPYXNJVFCNCFVCU-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.47
Rot. Bonds2

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

[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 4743410) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is [5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-phenylphenyl)methanone
PubChem CID4743410
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-phenylphenyl)methanone
SMILESC=C1CC(O)(C(F)(F)F)N(C(=O)c2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C18H15F3N2O2/c1-12-11-17(25,18(19,20)21)23(22-12)16(24)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,22,25H,1,11H2
InChIKeyPYXNJVFCNCFVCU-UHFFFAOYSA-N
XLogP3.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-2-phenylethanone
CID 4742946
[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-(3-nitrophenyl)methanone
CID 5084478
(4-hydroxyphenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 46741871
(4-aminophenyl)-[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 7370875
[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone
CID 1366647
(4-tert-butylphenyl)-[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 7290096
[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 7302769
[(5R)-5-hydroxy-3,5-bis(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 685721
[(5S)-5-hydroxy-3-propan-2-ylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-[4-[(4-methylphenyl)methoxy]phenyl]methanone
CID 2237753
(3-chlorophenyl)-[3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]methanone
CID 5129504
[(3S,3aR)-3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(4-phenylphenyl)methanone
CID 1367082
[(3R,3aS)-3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(4-phenylphenyl)methanone
CID 1367083

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-phenylphenyl)methanone (CID 4743410) is [5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-phenylphenyl)methanone is C=C1CC(O)(C(F)(F)F)N(C(=O)c2ccc(-c3ccccc3)cc2)N1.
What is the InChIKey of [5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is PYXNJVFCNCFVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-12-11-17(25,18(19,20)21)23(22-12)16(24)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,22,25H,1,11H2.
What are the key properties of [5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-phenylphenyl)methanone?
[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 348.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 4743410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).