(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol

C11H11F3N2O2 — CID 6934344

IUPAC(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
SMILESCOc1ccc(C2=NN[C@@](O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C11H11F3N2O2/c1-18-8-4-2-7(3-5-8)9-6-10(17,16-15-9)11(12,13)14/h2-5,16-17H,6H2,1H3/t10-/m0/s1
InChIKeyRQCQVWPZYPDNNC-JTQLQIEISA-N
MW260.21 g/mol
LogP1.64
Rot. Bonds2

About (5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol

(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol (PubChem CID 6934344) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is (5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol.

Molecular Properties

Compound Name(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
PubChem CID6934344
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
SMILESCOc1ccc(C2=NN[C@@](O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C11H11F3N2O2/c1-18-8-4-2-7(3-5-8)9-6-10(17,16-15-9)11(12,13)14/h2-5,16-17H,6H2,1H3/t10-/m0/s1
InChIKeyRQCQVWPZYPDNNC-JTQLQIEISA-N
XLogP1.64
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 1364720
3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 2881249
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
CID 2742946
3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
CID 2823600
3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
CID 2918905
3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
CID 2743007
2-[bromo(difluoro)methyl]-4-(4-methoxyphenyl)-1,3-dihydropyrrol-2-ol
CID 155668078
cyclopropyl-[(5R)-5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 817259
4-[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]benzenesulfonamide
CID 122189266
1-[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone
CID 3147082
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 4153150
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 5068422

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
The IUPAC name of (5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol (CID 6934344) is (5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol.
What is the SMILES notation for (5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
The canonical SMILES for (5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol is COc1ccc(C2=NN[C@@](O)(C(F)(F)F)C2)cc1.
What is the InChIKey of (5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
The InChIKey is RQCQVWPZYPDNNC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-18-8-4-2-7(3-5-8)9-6-10(17,16-15-9)11(12,13)14/h2-5,16-17H,6H2,1H3/t10-/m0/s1.
What are the key properties of (5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol has a molecular weight of 260.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol is sourced from PubChem (CID 6934344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).