5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol

C19H14F3N3OS — CID 4127325

IUPAC5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESOC1(C(F)(F)F)CC(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H14F3N3OS/c20-19(21,22)18(26)11-15(13-7-3-1-4-8-13)24-25(18)17-23-16(12-27-17)14-9-5-2-6-10-14/h1-10,12,26H,11H2
InChIKeyPWGGGQLSUQVPIX-UHFFFAOYSA-N
MW389.40 g/mol
LogP4.68
Rot. Bonds3

About 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol

5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 4127325) has the molecular formula C19H14F3N3OS and a molecular weight of 389.40 g/mol. Its IUPAC name is 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID4127325
Molecular FormulaC19H14F3N3OS
Molecular Weight389.40 g/mol
Exact Mass389.08
IUPAC Name5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESOC1(C(F)(F)F)CC(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H14F3N3OS/c20-19(21,22)18(26)11-15(13-7-3-1-4-8-13)24-25(18)17-23-16(12-27-17)14-9-5-2-6-10-14/h1-10,12,26H,11H2
InChIKeyPWGGGQLSUQVPIX-UHFFFAOYSA-N
XLogP4.68
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 4127325) is 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is OC1(C(F)(F)F)CC(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1.
What is the InChIKey of 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is PWGGGQLSUQVPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3OS/c20-19(21,22)18(26)11-15(13-7-3-1-4-8-13)24-25(18)17-23-16(12-27-17)14-9-5-2-6-10-14/h1-10,12,26H,11H2.
What are the key properties of 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 389.40 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 4127325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).