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

C13H10F3N3OS — CID 12024896

IUPAC2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESOC1(C(F)(F)F)CC=NN1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H10F3N3OS/c14-13(15,16)12(20)6-7-17-19(12)11-18-10(8-21-11)9-4-2-1-3-5-9/h1-5,7-8,20H,6H2
InChIKeyPKXCOAMATRKMRE-UHFFFAOYSA-N
MW313.30 g/mol
LogP3.26
Rot. Bonds2

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

2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 12024896) has the molecular formula C13H10F3N3OS and a molecular weight of 313.30 g/mol. Its IUPAC name is 2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID12024896
Molecular FormulaC13H10F3N3OS
Molecular Weight313.30 g/mol
Exact Mass313.05
IUPAC Name2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESOC1(C(F)(F)F)CC=NN1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H10F3N3OS/c14-13(15,16)12(20)6-7-17-19(12)11-18-10(8-21-11)9-4-2-1-3-5-9/h1-5,7-8,20H,6H2
InChIKeyPKXCOAMATRKMRE-UHFFFAOYSA-N
XLogP3.26
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 12024896) is 2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for 2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for 2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is OC1(C(F)(F)F)CC=NN1c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is PKXCOAMATRKMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3OS/c14-13(15,16)12(20)6-7-17-19(12)11-18-10(8-21-11)9-4-2-1-3-5-9/h1-5,7-8,20H,6H2.
What are the key properties of 2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 313.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 12024896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).