(3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol

C12H11F3N2O — CID 7007474

IUPAC(3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol
SMILESO[C@@]1(C(F)(F)F)C=C(C=Cc2ccccc2)NN1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)11(18)8-10(16-17-11)7-6-9-4-2-1-3-5-9/h1-8,16-18H/t11-/m1/s1
InChIKeyDWLWFGWJSNILKW-LLVKDONJSA-N
MW256.23 g/mol
LogP1.94
Rot. Bonds2

About (3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol

(3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol (PubChem CID 7007474) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is (3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol.

Molecular Properties

Compound Name(3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol
PubChem CID7007474
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name(3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol
SMILESO[C@@]1(C(F)(F)F)C=C(C=Cc2ccccc2)NN1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)11(18)8-10(16-17-11)7-6-9-4-2-1-3-5-9/h1-8,16-18H/t11-/m1/s1
InChIKeyDWLWFGWJSNILKW-LLVKDONJSA-N
XLogP1.94
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 4145747
5-Phenyl-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol
CID 4519188
(5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 7007216
(5S)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 7007217
3-Methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol
CID 142995897
3-Methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-ol
CID 142995901

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol?
The IUPAC name of (3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol (CID 7007474) is (3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol.
What is the SMILES notation for (3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol?
The canonical SMILES for (3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol is O[C@@]1(C(F)(F)F)C=C(C=Cc2ccccc2)NN1.
What is the InChIKey of (3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol?
The InChIKey is DWLWFGWJSNILKW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)11(18)8-10(16-17-11)7-6-9-4-2-1-3-5-9/h1-8,16-18H/t11-/m1/s1.
What are the key properties of (3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol?
(3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol has a molecular weight of 256.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(2-phenylethenyl)-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol is sourced from PubChem (CID 7007474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).