(4-hydroxyphenyl)-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

C11H9F3N2O3 — CID 3483544

IUPAC(4-hydroxyphenyl)-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESO=C(c1ccc(O)cc1)N1N=CCC1(O)C(F)(F)F
InChIInChI=1S/C11H9F3N2O3/c12-11(13,14)10(19)5-6-15-16(10)9(18)7-1-3-8(17)4-2-7/h1-4,6,17,19H,5H2
InChIKeyRXHVNZHTEFXYHD-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.47
Rot. Bonds1

About (4-hydroxyphenyl)-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

(4-hydroxyphenyl)-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (PubChem CID 3483544) has the molecular formula C11H9F3N2O3 and a molecular weight of 274.20 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
PubChem CID3483544
Molecular FormulaC11H9F3N2O3
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Name(4-hydroxyphenyl)-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESO=C(c1ccc(O)cc1)N1N=CCC1(O)C(F)(F)F
InChIInChI=1S/C11H9F3N2O3/c12-11(13,14)10(19)5-6-15-16(10)9(18)7-1-3-8(17)4-2-7/h1-4,6,17,19H,5H2
InChIKeyRXHVNZHTEFXYHD-UHFFFAOYSA-N
XLogP1.47
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CID 3483544) is (4-hydroxyphenyl)-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is O=C(c1ccc(O)cc1)N1N=CCC1(O)C(F)(F)F.
What is the InChIKey of (4-hydroxyphenyl)-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is RXHVNZHTEFXYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3/c12-11(13,14)10(19)5-6-15-16(10)9(18)7-1-3-8(17)4-2-7/h1-4,6,17,19H,5H2.
What are the key properties of (4-hydroxyphenyl)-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
(4-hydroxyphenyl)-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 274.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 3483544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).