(2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol

C11H9BrClFN2O — CID 115836734

IUPAC(2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
SMILESCn1ncc(Cl)c1C(O)c1ccc(F)cc1Br
InChIInChI=1S/C11H9BrClFN2O/c1-16-10(9(13)5-15-16)11(17)7-3-2-6(14)4-8(7)12/h2-5,11,17H,1H3
InChIKeyMNMXJLYSACOQJN-UHFFFAOYSA-N
MW319.56 g/mol
LogP3.06
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol

(2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol (PubChem CID 115836734) has the molecular formula C11H9BrClFN2O and a molecular weight of 319.56 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
PubChem CID115836734
Molecular FormulaC11H9BrClFN2O
Molecular Weight319.56 g/mol
Exact Mass317.96
IUPAC Name(2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
SMILESCn1ncc(Cl)c1C(O)c1ccc(F)cc1Br
InChIInChI=1S/C11H9BrClFN2O/c1-16-10(9(13)5-15-16)11(17)7-3-2-6(14)4-8(7)12/h2-5,11,17H,1H3
InChIKeyMNMXJLYSACOQJN-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.56
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol
CID 114635377
(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 106859553
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol
CID 114643499
(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 114644848
(2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839430
(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105129852
[(4-chloro-1-methylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105216647
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114637368
(2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114025423
(4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine
CID 107946860
(4-chloro-1-methylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969920
N-[(2-bromo-4-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042540

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
The IUPAC name of (2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol (CID 115836734) is (2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol is Cn1ncc(Cl)c1C(O)c1ccc(F)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
The InChIKey is MNMXJLYSACOQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClFN2O/c1-16-10(9(13)5-15-16)11(17)7-3-2-6(14)4-8(7)12/h2-5,11,17H,1H3.
What are the key properties of (2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol?
(2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol has a molecular weight of 319.56 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 115836734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).