(5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol

C15H18BrFN2O — CID 83091258

IUPAC(5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2cc(Br)ccc2F)c(C(C)(C)C)n1
InChIInChI=1S/C15H18BrFN2O/c1-15(2,3)14-11(8-19(4)18-14)13(20)10-7-9(16)5-6-12(10)17/h5-8,13,20H,1-4H3
InChIKeyUEDTWVUEDFWVDJ-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.70
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol

(5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol (PubChem CID 83091258) has the molecular formula C15H18BrFN2O and a molecular weight of 341.22 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
PubChem CID83091258
Molecular FormulaC15H18BrFN2O
Molecular Weight341.22 g/mol
Exact Mass340.06
IUPAC Name(5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2cc(Br)ccc2F)c(C(C)(C)C)n1
InChIInChI=1S/C15H18BrFN2O/c1-15(2,3)14-11(8-19(4)18-14)13(20)10-7-9(16)5-6-12(10)17/h5-8,13,20H,1-4H3
InChIKeyUEDTWVUEDFWVDJ-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol
CID 83090575
(3-bromo-2,6-difluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 106941468
(3-tert-butyl-1-methylpyrazol-4-yl)-(2,5-dichlorophenyl)methanol
CID 83091560
(5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol
CID 107978535
(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol
CID 83090018
(3-tert-butyl-1-methylpyrazol-4-yl)-(5-chlorothiophen-2-yl)methanol
CID 83091647
(4-bromo-1-methylpyrazol-5-yl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 114638010
(5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985386
(5-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894128
2-(4-bromothiophen-2-yl)-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethanol
CID 83091781
(5-bromo-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanol
CID 115820779
(5-bromo-2-fluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 79742818

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol (CID 83091258) is (5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2cc(Br)ccc2F)c(C(C)(C)C)n1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol?
The InChIKey is UEDTWVUEDFWVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2O/c1-15(2,3)14-11(8-19(4)18-14)13(20)10-7-9(16)5-6-12(10)17/h5-8,13,20H,1-4H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol?
(5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol has a molecular weight of 341.22 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 83091258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).