(3R)-5-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol

C19H11ClF6N4OS — CID 51525315

IUPAC(3R)-5-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESO[C@@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H11ClF6N4OS/c20-11-5-3-10(4-6-11)13-9-17(31,19(24,25)26)30(29-13)16-27-12(14-2-1-7-32-14)8-15(28-16)18(21,22)23/h1-8,31H,9H2/t17-/m1/s1
InChIKeyYYYCAKXDRYEVSG-QGZVFWFLSA-N
MW492.83 g/mol
LogP5.74
Rot. Bonds3

About (3R)-5-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol

(3R)-5-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 51525315) has the molecular formula C19H11ClF6N4OS and a molecular weight of 492.83 g/mol. Its IUPAC name is (3R)-5-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name(3R)-5-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID51525315
Molecular FormulaC19H11ClF6N4OS
Molecular Weight492.83 g/mol
Exact Mass492.02
IUPAC Name(3R)-5-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESO[C@@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H11ClF6N4OS/c20-11-5-3-10(4-6-11)13-9-17(31,19(24,25)26)30(29-13)16-27-12(14-2-1-7-32-14)8-15(28-16)18(21,22)23/h1-8,31H,9H2/t17-/m1/s1
InChIKeyYYYCAKXDRYEVSG-QGZVFWFLSA-N
XLogP5.74
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.83
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 11236321
2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 19582773
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 4987184
2-(4-amino-6-methylpyrimidin-2-yl)-5-thiophen-2-yl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 3694149
(3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 40600389
2-(3,5-dimethylpyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 19587653
1-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
CID 82018277
(3R)-5-(4-methylphenyl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 7243114
[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 7302769
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-thiophen-2-ylpyridine
CID 102488794
5-(4-bromophenyl)-2-(7-chloroquinolin-4-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 11583640
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 (3R)-5-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of (3R)-5-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 51525315) is (3R)-5-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for (3R)-5-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for (3R)-5-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol is O[C@@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc(-c2cccs2)cc(C(F)(F)F)n1.
What is the InChIKey of (3R)-5-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is YYYCAKXDRYEVSG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H11ClF6N4OS/c20-11-5-3-10(4-6-11)13-9-17(31,19(24,25)26)30(29-13)16-27-12(14-2-1-7-32-14)8-15(28-16)18(21,22)23/h1-8,31H,9H2/t17-/m1/s1.
What are the key properties of (3R)-5-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol?
(3R)-5-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 492.83 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(4-chlorophenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 51525315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).