[2-bromo-5-(trifluoromethyl)phenyl]-(1,4-dimethylpyrazol-5-yl)methanol

C13H12BrF3N2O — CID 71226470

IUPAC[2-bromo-5-(trifluoromethyl)phenyl]-(1,4-dimethylpyrazol-5-yl)methanol
SMILESCc1cnn(C)c1C(O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C13H12BrF3N2O/c1-7-6-18-19(2)11(7)12(20)9-5-8(13(15,16)17)3-4-10(9)14/h3-6,12,20H,1-2H3
InChIKeyRQYDCGCZZFFOLV-UHFFFAOYSA-N
MW349.15 g/mol
LogP3.59
Rot. Bonds2

About [2-bromo-5-(trifluoromethyl)phenyl]-(1,4-dimethylpyrazol-5-yl)methanol

[2-bromo-5-(trifluoromethyl)phenyl]-(1,4-dimethylpyrazol-5-yl)methanol (PubChem CID 71226470) has the molecular formula C13H12BrF3N2O and a molecular weight of 349.15 g/mol. Its IUPAC name is [2-bromo-5-(trifluoromethyl)phenyl]-(1,4-dimethylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name[2-bromo-5-(trifluoromethyl)phenyl]-(1,4-dimethylpyrazol-5-yl)methanol
PubChem CID71226470
Molecular FormulaC13H12BrF3N2O
Molecular Weight349.15 g/mol
Exact Mass348.01
IUPAC Name[2-bromo-5-(trifluoromethyl)phenyl]-(1,4-dimethylpyrazol-5-yl)methanol
SMILESCc1cnn(C)c1C(O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C13H12BrF3N2O/c1-7-6-18-19(2)11(7)12(20)9-5-8(13(15,16)17)3-4-10(9)14/h3-6,12,20H,1-2H3
InChIKeyRQYDCGCZZFFOLV-UHFFFAOYSA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.15
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-bromo-5-(trifluoromethyl)phenyl]-(1,4-dimethylpyrazol-5-yl)methanol 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 [2-bromo-5-(trifluoromethyl)phenyl]-(1,4-dimethylpyrazol-5-yl)methanol?
The IUPAC name of [2-bromo-5-(trifluoromethyl)phenyl]-(1,4-dimethylpyrazol-5-yl)methanol (CID 71226470) is [2-bromo-5-(trifluoromethyl)phenyl]-(1,4-dimethylpyrazol-5-yl)methanol.
What is the SMILES notation for [2-bromo-5-(trifluoromethyl)phenyl]-(1,4-dimethylpyrazol-5-yl)methanol?
The canonical SMILES for [2-bromo-5-(trifluoromethyl)phenyl]-(1,4-dimethylpyrazol-5-yl)methanol is Cc1cnn(C)c1C(O)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of [2-bromo-5-(trifluoromethyl)phenyl]-(1,4-dimethylpyrazol-5-yl)methanol?
The InChIKey is RQYDCGCZZFFOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N2O/c1-7-6-18-19(2)11(7)12(20)9-5-8(13(15,16)17)3-4-10(9)14/h3-6,12,20H,1-2H3.
What are the key properties of [2-bromo-5-(trifluoromethyl)phenyl]-(1,4-dimethylpyrazol-5-yl)methanol?
[2-bromo-5-(trifluoromethyl)phenyl]-(1,4-dimethylpyrazol-5-yl)methanol has a molecular weight of 349.15 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-(trifluoromethyl)phenyl]-(1,4-dimethylpyrazol-5-yl)methanol is sourced from PubChem (CID 71226470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).