(3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol

C13H14BrFN2O — CID 106648347

IUPAC(3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)c(C)c1C(O)c1cccc(Br)c1F
InChIInChI=1S/C13H14BrFN2O/c1-7-11(8(2)17(3)16-7)13(18)9-5-4-6-10(14)12(9)15/h4-6,13,18H,1-3H3
InChIKeyMUNWUICRCWEDKZ-UHFFFAOYSA-N
MW313.17 g/mol
LogP3.02
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol

(3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol (PubChem CID 106648347) has the molecular formula C13H14BrFN2O and a molecular weight of 313.17 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
PubChem CID106648347
Molecular FormulaC13H14BrFN2O
Molecular Weight313.17 g/mol
Exact Mass312.03
IUPAC Name(3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)c(C)c1C(O)c1cccc(Br)c1F
InChIInChI=1S/C13H14BrFN2O/c1-7-11(8(2)17(3)16-7)13(18)9-5-4-6-10(14)12(9)15/h4-6,13,18H,1-3H3
InChIKeyMUNWUICRCWEDKZ-UHFFFAOYSA-N
XLogP3.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105121006
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105078402
(2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105095910
(3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 107955673
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine
CID 107953264
(3-bromo-2-fluorophenyl)-(2-bromo-4-methylphenyl)methanol
CID 106644538
(3-bromo-2-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 106648345
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-3-methylphenyl)methanol
CID 106465421
1-(3-bromo-2-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 106647590
(3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 106644397

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol (CID 106648347) is (3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol is Cc1nn(C)c(C)c1C(O)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
The InChIKey is MUNWUICRCWEDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O/c1-7-11(8(2)17(3)16-7)13(18)9-5-4-6-10(14)12(9)15/h4-6,13,18H,1-3H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
(3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol has a molecular weight of 313.17 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 106648347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).