(5-bromothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol

C9H9BrN2OS — CID 61088765

IUPAC(5-bromothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccc(Br)s2)cn1
InChIInChI=1S/C9H9BrN2OS/c1-12-5-6(4-11-12)9(13)7-2-3-8(10)14-7/h2-5,9,13H,1H3
InChIKeyPVGBVHWIDYKFNV-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.33
Rot. Bonds2

About (5-bromothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol

(5-bromothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 61088765) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
PubChem CID61088765
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC Name(5-bromothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccc(Br)s2)cn1
InChIInChI=1S/C9H9BrN2OS/c1-12-5-6(4-11-12)9(13)7-2-3-8(10)14-7/h2-5,9,13H,1H3
InChIKeyPVGBVHWIDYKFNV-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

2-[Benzyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-thiophen-2-ylethanol
CID 75425683
(5-Fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
CID 113678258
(6-Fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
CID 114981741
(3-Fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
CID 130594717
(5-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 11587150
(1-Methylpyrazol-4-yl)-thiophen-3-ylmethanol
CID 61088589
(1,5-Dimethylpyrazol-4-yl)-thiophen-2-ylmethanol
CID 79584574
(1-Ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol
CID 171763235
(1-methyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)methanol
CID 39095884
(5-Bromothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 49962850
(1-Methylpyrazol-4-yl)-thiophen-2-ylmethanol
CID 61088586
(1-Methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol
CID 61088767

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol (CID 61088765) is (5-bromothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2ccc(Br)s2)cn1.
What is the InChIKey of (5-bromothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is PVGBVHWIDYKFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c1-12-5-6(4-11-12)9(13)7-2-3-8(10)14-7/h2-5,9,13H,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol?
(5-bromothiophen-2-yl)-(1-methylpyrazol-4-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-2-yl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 61088765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).