1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol

C15H18BrFN2O2 — CID 114638175

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
SMILESCCCn1ncc(Br)c1C(C)(O)c1c(F)cccc1OC
InChIInChI=1S/C15H18BrFN2O2/c1-4-8-19-14(10(16)9-18-19)15(2,20)13-11(17)6-5-7-12(13)21-3/h5-7,9,20H,4,8H2,1-3H3
InChIKeyQJKSDDGFCZRLQN-UHFFFAOYSA-N
MW357.22 g/mol
LogP3.46
Rot. Bonds5

About 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol

1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol (PubChem CID 114638175) has the molecular formula C15H18BrFN2O2 and a molecular weight of 357.22 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
PubChem CID114638175
Molecular FormulaC15H18BrFN2O2
Molecular Weight357.22 g/mol
Exact Mass356.05
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
SMILESCCCn1ncc(Br)c1C(C)(O)c1c(F)cccc1OC
InChIInChI=1S/C15H18BrFN2O2/c1-4-8-19-14(10(16)9-18-19)15(2,20)13-11(17)6-5-7-12(13)21-3/h5-7,9,20H,4,8H2,1-3H3
InChIKeyQJKSDDGFCZRLQN-UHFFFAOYSA-N
XLogP3.46
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638169
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638172
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol
CID 114633444
1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114633501
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methoxyphenyl)ethanol
CID 114633531
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633389
1-(4-bromo-1-propylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633346
1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol
CID 114633474
1-(2-fluoro-6-methoxyphenyl)-1-(3-methyltriazol-4-yl)ethanol
CID 114685435
2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol
CID 114638555
1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114637925
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-methoxyphenyl)ethanol
CID 114633518

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol (CID 114638175) is 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol is CCCn1ncc(Br)c1C(C)(O)c1c(F)cccc1OC.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol?
The InChIKey is QJKSDDGFCZRLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2O2/c1-4-8-19-14(10(16)9-18-19)15(2,20)13-11(17)6-5-7-12(13)21-3/h5-7,9,20H,4,8H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol?
1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol has a molecular weight of 357.22 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol is sourced from PubChem (CID 114638175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).