[1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol

C11H8BrF3N2O — CID 66438123

IUPAC[1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ccc(Br)cc2)c1C(F)(F)F
InChIInChI=1S/C11H8BrF3N2O/c12-8-1-3-9(4-2-8)17-10(11(13,14)15)7(6-18)5-16-17/h1-5,18H,6H2
InChIKeyCLIRPTXPLRGMBL-UHFFFAOYSA-N
MW321.10 g/mol
LogP3.15
Rot. Bonds2

About [1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol

[1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 66438123) has the molecular formula C11H8BrF3N2O and a molecular weight of 321.10 g/mol. Its IUPAC name is [1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID66438123
Molecular FormulaC11H8BrF3N2O
Molecular Weight321.10 g/mol
Exact Mass319.98
IUPAC Name[1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ccc(Br)cc2)c1C(F)(F)F
InChIInChI=1S/C11H8BrF3N2O/c12-8-1-3-9(4-2-8)17-10(11(13,14)15)7(6-18)5-16-17/h1-5,18H,6H2
InChIKeyCLIRPTXPLRGMBL-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.10
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-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 [1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol (CID 66438123) is [1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol is OCc1cnn(-c2ccc(Br)cc2)c1C(F)(F)F.
What is the InChIKey of [1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is CLIRPTXPLRGMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2O/c12-8-1-3-9(4-2-8)17-10(11(13,14)15)7(6-18)5-16-17/h1-5,18H,6H2.
What are the key properties of [1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol?
[1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 321.10 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 66438123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).