1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]ethanol

C12H12BrFN2O — CID 62730190

IUPAC1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C12H12BrFN2O/c1-8(17)10-5-15-16(7-10)6-9-2-3-11(13)4-12(9)14/h2-5,7-8,17H,6H2,1H3
InChIKeyHSZQIODSSOZOHI-UHFFFAOYSA-N
MW299.14 g/mol
LogP2.89
Rot. Bonds3

About 1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]ethanol

1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]ethanol (PubChem CID 62730190) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is 1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]ethanol
PubChem CID62730190
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C12H12BrFN2O/c1-8(17)10-5-15-16(7-10)6-9-2-3-11(13)4-12(9)14/h2-5,7-8,17H,6H2,1H3
InChIKeyHSZQIODSSOZOHI-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

1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 62731055
1-[1-[(3,5-dimethylphenyl)methyl]pyrazol-4-yl]ethanol
CID 55109223
(1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 94575350
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731796
2-[4-[(4-bromo-2-fluorophenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928870
1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
CID 62730727
1-[(5-bromo-2-fluorophenyl)methyl]pyrazole-4-carboxylic acid
CID 43565358
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43242831
1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 55110538
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 62731601
1-[(2-bromo-4-fluorophenyl)methyl]-4-(1-chloropropyl)pyrazole
CID 62730571

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]ethanol (CID 62730190) is 1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]ethanol is CC(O)c1cnn(Cc2ccc(Br)cc2F)c1.
What is the InChIKey of 1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]ethanol?
The InChIKey is HSZQIODSSOZOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c1-8(17)10-5-15-16(7-10)6-9-2-3-11(13)4-12(9)14/h2-5,7-8,17H,6H2,1H3.
What are the key properties of 1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]ethanol?
1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]ethanol 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 1-[1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 62730190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).