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

C9H9BrN2OS — CID 11536370

IUPAC(4-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1cc(Br)cs1
InChIInChI=1S/C9H9BrN2OS/c1-12-7(2-3-11-12)9(13)8-4-6(10)5-14-8/h2-5,9,13H,1H3
InChIKeyYDEOLUKWFSOENJ-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.33
Rot. Bonds2

About (4-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol

(4-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol (PubChem CID 11536370) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
PubChem CID11536370
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC Name(4-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1cc(Br)cs1
InChIInChI=1S/C9H9BrN2OS/c1-12-7(2-3-11-12)9(13)8-4-6(10)5-14-8/h2-5,9,13H,1H3
InChIKeyYDEOLUKWFSOENJ-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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CID 66072273
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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of (4-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol (CID 11536370) is (4-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (4-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (4-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol is Cn1nccc1C(O)c1cc(Br)cs1.
What is the InChIKey of (4-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol?
The InChIKey is YDEOLUKWFSOENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c1-12-7(2-3-11-12)9(13)8-4-6(10)5-14-8/h2-5,9,13H,1H3.
What are the key properties of (4-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol?
(4-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 (4-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 11536370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).