[3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol

C9H9BrN2O2 — CID 115092903

IUPAC[3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol
SMILESCn1nc(-c2ccc(Br)o2)cc1CO
InChIInChI=1S/C9H9BrN2O2/c1-12-6(5-13)4-7(11-12)8-2-3-9(10)14-8/h2-4,13H,5H2,1H3
InChIKeyCACDFRKPYJMJHE-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.93
Rot. Bonds2

About [3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol

[3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol (PubChem CID 115092903) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is [3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol
PubChem CID115092903
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name[3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol
SMILESCn1nc(-c2ccc(Br)o2)cc1CO
InChIInChI=1S/C9H9BrN2O2/c1-12-6(5-13)4-7(11-12)8-2-3-9(10)14-8/h2-4,13H,5H2,1H3
InChIKeyCACDFRKPYJMJHE-UHFFFAOYSA-N
XLogP1.93
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-yl]methanol
CID 115092905
ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol
CID 168921661
[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methanol
CID 115093183
2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol
CID 115092153
2-[4-(5-bromofuran-2-yl)-6-oxopyrimidin-1-yl]acetic acid
CID 121205718
4-bromo-6-(5-bromofuran-2-yl)pyrimidine
CID 121205669
3-(5-bromofuran-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-5-amine
CID 63275168
6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine
CID 117106452
3-(5-bromofuran-2-yl)-1-(4-chlorophenyl)pyrazol-5-amine
CID 43381273
1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996300
3-(5-bromofuran-2-yl)-1-(3-phenylpropyl)pyrazol-5-amine
CID 63266022
3-(5-ethylfuran-2-yl)-1-methylpyrazol-5-amine
CID 79095617

Frequently Asked Questions

What is the IUPAC name of [3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol?
The IUPAC name of [3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol (CID 115092903) is [3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol.
What is the SMILES notation for [3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol?
The canonical SMILES for [3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol is Cn1nc(-c2ccc(Br)o2)cc1CO.
What is the InChIKey of [3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol?
The InChIKey is CACDFRKPYJMJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-12-6(5-13)4-7(11-12)8-2-3-9(10)14-8/h2-4,13H,5H2,1H3.
What are the key properties of [3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol?
[3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol has a molecular weight of 257.09 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol is sourced from PubChem (CID 115092903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).