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

C9H9BrN2OS — CID 105098246

IUPAC(5-bromothiophen-3-yl)-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1csc(Br)c1
InChIInChI=1S/C9H9BrN2OS/c1-12-7(2-3-11-12)9(13)6-4-8(10)14-5-6/h2-5,9,13H,1H3
InChIKeyGNWALYDTGQVYOM-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.33
Rot. Bonds2

About (5-bromothiophen-3-yl)-(2-methylpyrazol-3-yl)methanol

(5-bromothiophen-3-yl)-(2-methylpyrazol-3-yl)methanol (PubChem CID 105098246) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(2-methylpyrazol-3-yl)methanol
PubChem CID105098246
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC Name(5-bromothiophen-3-yl)-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1csc(Br)c1
InChIInChI=1S/C9H9BrN2OS/c1-12-7(2-3-11-12)9(13)6-4-8(10)14-5-6/h2-5,9,13H,1H3
InChIKeyGNWALYDTGQVYOM-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

(1,5-dimethyl-1H-pyrazol-3-yl)(thiophen-3-yl)methanol
CID 121553669
N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-thiophen-3-ylmethoxy]ethanamine
CID 9795298
(2-methyl-2H-pyrazole-3-yl)-thiophene-2-yl-methanol
CID 11528509
(4-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 11536370
1-(2-Methylpyrazol-3-yl)-1-thiophen-2-ylethanol
CID 11557532
(5-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 11587150
(1-Methyl-1H-pyrazol-5-yl)(3-methylthiophen-2-yl)methanol
CID 11600915
(2-Methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanol
CID 21909082
(R)-(2-methylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 29939245
(S)-(2-methylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 29939249
(2-Methylpyrazol-3-yl)-thiophen-3-ylmethanol
CID 63963692
[3-(2-Methylpyrazol-3-yl)thiophen-2-yl]methanol
CID 69369524

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of (5-bromothiophen-3-yl)-(2-methylpyrazol-3-yl)methanol (CID 105098246) is (5-bromothiophen-3-yl)-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (5-bromothiophen-3-yl)-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (5-bromothiophen-3-yl)-(2-methylpyrazol-3-yl)methanol is Cn1nccc1C(O)c1csc(Br)c1.
What is the InChIKey of (5-bromothiophen-3-yl)-(2-methylpyrazol-3-yl)methanol?
The InChIKey is GNWALYDTGQVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c1-12-7(2-3-11-12)9(13)6-4-8(10)14-5-6/h2-5,9,13H,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(2-methylpyrazol-3-yl)methanol?
(5-bromothiophen-3-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 (5-bromothiophen-3-yl)-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 105098246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).