(3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol

C17H11F4N3O2S — CID 40517164

IUPAC(3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESO[C@@]1(C(F)(F)F)CC(c2ccco2)=NN1c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H11F4N3O2S/c18-11-5-3-10(4-6-11)13-9-27-15(22-13)24-16(25,17(19,20)21)8-12(23-24)14-2-1-7-26-14/h1-7,9,25H,8H2/t16-/m1/s1
InChIKeyYLMLIYVOAOPQOM-MRXNPFEDSA-N
MW397.35 g/mol
LogP4.41
Rot. Bonds3

About (3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol

(3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 40517164) has the molecular formula C17H11F4N3O2S and a molecular weight of 397.35 g/mol. Its IUPAC name is (3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name(3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID40517164
Molecular FormulaC17H11F4N3O2S
Molecular Weight397.35 g/mol
Exact Mass397.05
IUPAC Name(3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESO[C@@]1(C(F)(F)F)CC(c2ccco2)=NN1c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H11F4N3O2S/c18-11-5-3-10(4-6-11)13-9-27-15(22-13)24-16(25,17(19,20)21)8-12(23-24)14-2-1-7-26-14/h1-7,9,25H,8H2/t16-/m1/s1
InChIKeyYLMLIYVOAOPQOM-MRXNPFEDSA-N
XLogP4.41
TPSA61.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(2-hydroxyphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 136716125
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-naphthalen-1-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 4873394
(3R)-5-(4-methylphenyl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 7243114
(3R)-5-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 92525200
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 5068422
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 4987184
ethyl 2-[(5R)-3-(furan-2-yl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylate
CID 40517194
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 4153150
5-[2-(furan-2-yl)ethenyl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 3564135
(3R)-5-(4-bromophenyl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 40792990
5-(4-bromophenyl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 4873398
(3R)-5-(2,4-dimethoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 40813076

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of (3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 40517164) is (3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for (3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for (3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is O[C@@]1(C(F)(F)F)CC(c2ccco2)=NN1c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of (3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is YLMLIYVOAOPQOM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H11F4N3O2S/c18-11-5-3-10(4-6-11)13-9-27-15(22-13)24-16(25,17(19,20)21)8-12(23-24)14-2-1-7-26-14/h1-7,9,25H,8H2/t16-/m1/s1.
What are the key properties of (3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
(3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 397.35 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 40517164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).