(3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol

C9H9BrN2O2 — CID 114554058

IUPAC(3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1occc1Br
InChIInChI=1S/C9H9BrN2O2/c1-12-7(2-4-11-12)8(13)9-6(10)3-5-14-9/h2-5,8,13H,1H3
InChIKeyCXGWNHKCDGMHEG-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.86
Rot. Bonds2

About (3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol

(3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol (PubChem CID 114554058) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol
PubChem CID114554058
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name(3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1occc1Br
InChIInChI=1S/C9H9BrN2O2/c1-12-7(2-4-11-12)8(13)9-6(10)3-5-14-9/h2-5,8,13H,1H3
InChIKeyCXGWNHKCDGMHEG-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(3-bromofuran-2-yl)-(2-methyl-3-pyridinyl)methanol
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(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol
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CID 11550333
2-(2-bromophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol
CID 66144643
(2-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol
CID 63961352
(3-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 104823083
(3-bromofuran-2-yl)-(4,5-dibromothiophen-2-yl)methanol
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(3-bromofuran-2-yl)-(3,4-dichlorophenyl)methanol
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(2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol (CID 114554058) is (3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol is Cn1nccc1C(O)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol?
The InChIKey is CXGWNHKCDGMHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-12-7(2-4-11-12)8(13)9-6(10)3-5-14-9/h2-5,8,13H,1H3.
What are the key properties of (3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol?
(3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol has a molecular weight of 257.09 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 114554058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).