[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol

C6H6BrF3N2O — CID 70851934

IUPAC[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
SMILESCn1nc(C(F)(F)F)c(Br)c1CO
InChIInChI=1S/C6H6BrF3N2O/c1-12-3(2-13)4(7)5(11-12)6(8,9)10/h13H,2H2,1H3
InChIKeyVYNOSLWLEDROLB-UHFFFAOYSA-N
MW259.02 g/mol
LogP1.69
Rot. Bonds1

About [4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol

[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol (PubChem CID 70851934) has the molecular formula C6H6BrF3N2O and a molecular weight of 259.02 g/mol. Its IUPAC name is [4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
PubChem CID70851934
Molecular FormulaC6H6BrF3N2O
Molecular Weight259.02 g/mol
Exact Mass257.96
IUPAC Name[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
SMILESCn1nc(C(F)(F)F)c(Br)c1CO
InChIInChI=1S/C6H6BrF3N2O/c1-12-3(2-13)4(7)5(11-12)6(8,9)10/h13H,2H2,1H3
InChIKeyVYNOSLWLEDROLB-UHFFFAOYSA-N
XLogP1.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.02
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol?
The IUPAC name of [4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol (CID 70851934) is [4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol?
The canonical SMILES for [4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol is Cn1nc(C(F)(F)F)c(Br)c1CO.
What is the InChIKey of [4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol?
The InChIKey is VYNOSLWLEDROLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF3N2O/c1-12-3(2-13)4(7)5(11-12)6(8,9)10/h13H,2H2,1H3.
What are the key properties of [4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol?
[4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol has a molecular weight of 259.02 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 70851934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).