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

C9H9BrN2OS — CID 115381011

IUPAC(3-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1sccc1Br
InChIInChI=1S/C9H9BrN2OS/c1-12-7(2-4-11-12)8(13)9-6(10)3-5-14-9/h2-5,8,13H,1H3
InChIKeyUTVHLLBXBNNPSK-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.33
Rot. Bonds2

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

(3-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol (PubChem CID 115381011) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
PubChem CID115381011
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC Name(3-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1sccc1Br
InChIInChI=1S/C9H9BrN2OS/c1-12-7(2-4-11-12)8(13)9-6(10)3-5-14-9/h2-5,8,13H,1H3
InChIKeyUTVHLLBXBNNPSK-UHFFFAOYSA-N
XLogP2.33
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Dilopetine, (R)-
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1-(2-Ethylpyrazol-3-yl)-2-(4-fluorophenyl)sulfanylethanol
CID 66070344
2-(4-Fluorophenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethanol
CID 66070352
2-(4-Fluorophenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanol
CID 66070556
2-(3-Fluorophenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanol
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CID 66072273

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of (3-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol (CID 115381011) is (3-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (3-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol is Cn1nccc1C(O)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol?
The InChIKey is UTVHLLBXBNNPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/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-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol?
(3-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol has a molecular weight of 273.16 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 115381011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).