1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol

C13H14BrFN2O — CID 114872490

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol
SMILESCCC(O)(c1cccc(F)c1)c1c(Br)cnn1C
InChIInChI=1S/C13H14BrFN2O/c1-3-13(18,9-5-4-6-10(15)7-9)12-11(14)8-16-17(12)2/h4-8,18H,3H2,1-2H3
InChIKeyOMMHRDYNVUTISR-UHFFFAOYSA-N
MW313.17 g/mol
LogP2.97
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol

1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol (PubChem CID 114872490) has the molecular formula C13H14BrFN2O and a molecular weight of 313.17 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol
PubChem CID114872490
Molecular FormulaC13H14BrFN2O
Molecular Weight313.17 g/mol
Exact Mass312.03
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol
SMILESCCC(O)(c1cccc(F)c1)c1c(Br)cnn1C
InChIInChI=1S/C13H14BrFN2O/c1-3-13(18,9-5-4-6-10(15)7-9)12-11(14)8-16-17(12)2/h4-8,18H,3H2,1-2H3
InChIKeyOMMHRDYNVUTISR-UHFFFAOYSA-N
XLogP2.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol
CID 114872310
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 114872417
1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872344
1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol
CID 114872383
1-(3-fluorophenyl)-1-(5-methylthiophen-3-yl)propan-1-ol
CID 114872384
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872327
1-(2-amino-3-pyridinyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872419
2-amino-1,1-bis(3-fluorophenyl)ethanol
CID 71663464
CID 59612023
CID 59612023
1-(3-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-2-ol
CID 65145228
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633389

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol (CID 114872490) is 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol is CCC(O)(c1cccc(F)c1)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol?
The InChIKey is OMMHRDYNVUTISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O/c1-3-13(18,9-5-4-6-10(15)7-9)12-11(14)8-16-17(12)2/h4-8,18H,3H2,1-2H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol?
1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol has a molecular weight of 313.17 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 114872490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).