(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol

C12H12BrFN2O — CID 66424235

IUPAC(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H12BrFN2O/c1-2-16-11(3-4-15-16)12(17)8-5-9(13)7-10(14)6-8/h3-7,12,17H,2H2,1H3
InChIKeyAZQUKYJGDWNNRM-UHFFFAOYSA-N
MW299.14 g/mol
LogP2.89
Rot. Bonds3

About (3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol

(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol (PubChem CID 66424235) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
PubChem CID66424235
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H12BrFN2O/c1-2-16-11(3-4-15-16)12(17)8-5-9(13)7-10(14)6-8/h3-7,12,17H,2H2,1H3
InChIKeyAZQUKYJGDWNNRM-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 66426059
(2-ethylpyrazol-3-yl)-(3-fluorophenyl)methanol
CID 63975475
(6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 115798794
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
CID 63975266
(2-ethylpyrazol-3-yl)-(3-fluoro-4-methylphenyl)methanol
CID 63974209
(2-ethylpyrazol-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 63976113
(4,5-dibromofuran-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 63975471
(5-bromofuran-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 63976104
(3-ethylphenyl)-(2-ethylpyrazol-3-yl)methanol
CID 114556807
(2-ethylpyrazol-3-yl)-(4-propylphenyl)methanol
CID 114556918
(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63974840
2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol
CID 63976111

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol?
The IUPAC name of (3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol (CID 66424235) is (3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol is CCn1nccc1C(O)c1cc(F)cc(Br)c1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol?
The InChIKey is AZQUKYJGDWNNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c1-2-16-11(3-4-15-16)12(17)8-5-9(13)7-10(14)6-8/h3-7,12,17H,2H2,1H3.
What are the key properties of (3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol?
(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol has a molecular weight of 299.14 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol is sourced from PubChem (CID 66424235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).