(4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol

C12H9BrF4N2O — CID 114637474

IUPAC(4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
SMILESCn1ncc(Br)c1C(O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H9BrF4N2O/c1-19-10(9(13)5-18-19)11(20)6-2-7(12(15,16)17)4-8(14)3-6/h2-5,11,20H,1H3
InChIKeyOHDKHBWTAWHFHM-UHFFFAOYSA-N
MW353.11 g/mol
LogP3.42
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol

(4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol (PubChem CID 114637474) has the molecular formula C12H9BrF4N2O and a molecular weight of 353.11 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
PubChem CID114637474
Molecular FormulaC12H9BrF4N2O
Molecular Weight353.11 g/mol
Exact Mass351.98
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
SMILESCn1ncc(Br)c1C(O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H9BrF4N2O/c1-19-10(9(13)5-18-19)11(20)6-2-7(12(15,16)17)4-8(14)3-6/h2-5,11,20H,1H3
InChIKeyOHDKHBWTAWHFHM-UHFFFAOYSA-N
XLogP3.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.11
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643211
(3-bromo-5-chlorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 107947873
[3-fluoro-5-(trifluoromethyl)phenyl]-pyrimidin-5-ylmethanol
CID 115351139
(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 114634413
1-(4-bromo-1-methylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 114644162
1-(4-bromo-1-methylpyrazol-5-yl)-2-chloro-2,2-difluoroethanol
CID 114645379
(4-bromo-1-methylpyrazol-5-yl)-(2-fluorophenyl)methanol
CID 114634713
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115839156
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol
CID 103217178
(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114645155
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 97294480
[(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105342188

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol (CID 114637474) is (4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol is Cn1ncc(Br)c1C(O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is OHDKHBWTAWHFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF4N2O/c1-19-10(9(13)5-18-19)11(20)6-2-7(12(15,16)17)4-8(14)3-6/h2-5,11,20H,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol?
(4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 353.11 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 114637474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).