4-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol

C20H14F3N3O2S — CID 2384881

IUPAC4-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol
SMILESCc1nc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccc(O)cc2O)cs1
InChIInChI=1S/C20H14F3N3O2S/c1-11-24-15(10-29-11)17-18(14-8-7-13(27)9-16(14)28)26(12-5-3-2-4-6-12)25-19(17)20(21,22)23/h2-10,27-28H,1H3
InChIKeyTXZQYZDRVCPCSR-UHFFFAOYSA-N
MW417.41 g/mol
LogP5.40
Rot. Bonds3

About 4-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol

4-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol (PubChem CID 2384881) has the molecular formula C20H14F3N3O2S and a molecular weight of 417.41 g/mol. Its IUPAC name is 4-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol
PubChem CID2384881
Molecular FormulaC20H14F3N3O2S
Molecular Weight417.41 g/mol
Exact Mass417.08
IUPAC Name4-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol
SMILESCc1nc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccc(O)cc2O)cs1
InChIInChI=1S/C20H14F3N3O2S/c1-11-24-15(10-29-11)17-18(14-8-7-13(27)9-16(14)28)26(12-5-3-2-4-6-12)25-19(17)20(21,22)23/h2-10,27-28H,1H3
InChIKeyTXZQYZDRVCPCSR-UHFFFAOYSA-N
XLogP5.40
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.41
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol (CID 2384881) is 4-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol is Cc1nc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccc(O)cc2O)cs1.
What is the InChIKey of 4-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol?
The InChIKey is TXZQYZDRVCPCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2S/c1-11-24-15(10-29-11)17-18(14-8-7-13(27)9-16(14)28)26(12-5-3-2-4-6-12)25-19(17)20(21,22)23/h2-10,27-28H,1H3.
What are the key properties of 4-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol?
4-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol has a molecular weight of 417.41 g/mol, XLogP of 5.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 2384881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).