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

C11H8F4N2O2 — CID 7689397

IUPAC(4-fluorophenyl)-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1N=CC[C@@]1(O)C(F)(F)F
InChIInChI=1S/C11H8F4N2O2/c12-8-3-1-7(2-4-8)9(18)17-10(19,5-6-16-17)11(13,14)15/h1-4,6,19H,5H2/t10-/m1/s1
InChIKeyAXLVSJGNUCHKCA-SNVBAGLBSA-N
MW276.19 g/mol
LogP1.91
Rot. Bonds1

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

(4-fluorophenyl)-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (PubChem CID 7689397) has the molecular formula C11H8F4N2O2 and a molecular weight of 276.19 g/mol. Its IUPAC name is (4-fluorophenyl)-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
PubChem CID7689397
Molecular FormulaC11H8F4N2O2
Molecular Weight276.19 g/mol
Exact Mass276.05
IUPAC Name(4-fluorophenyl)-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1N=CC[C@@]1(O)C(F)(F)F
InChIInChI=1S/C11H8F4N2O2/c12-8-3-1-7(2-4-8)9(18)17-10(19,5-6-16-17)11(13,14)15/h1-4,6,19H,5H2/t10-/m1/s1
InChIKeyAXLVSJGNUCHKCA-SNVBAGLBSA-N
XLogP1.91
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CID 7689397) is (4-fluorophenyl)-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is O=C(c1ccc(F)cc1)N1N=CC[C@@]1(O)C(F)(F)F.
What is the InChIKey of (4-fluorophenyl)-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is AXLVSJGNUCHKCA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H8F4N2O2/c12-8-3-1-7(2-4-8)9(18)17-10(19,5-6-16-17)11(13,14)15/h1-4,6,19H,5H2/t10-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
(4-fluorophenyl)-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 276.19 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 7689397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).