1-(1-methylpyrazol-3-yl)-1-thiophen-2-ylethanol

C10H12N2OS — CID 103130107

IUPAC1-(1-methylpyrazol-3-yl)-1-thiophen-2-ylethanol
SMILESCn1ccc(C(C)(O)c2cccs2)n1
InChIInChI=1S/C10H12N2OS/c1-10(13,9-4-3-7-14-9)8-5-6-12(2)11-8/h3-7,13H,1-2H3
InChIKeyWQWLZPLJZFOULM-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.74
Rot. Bonds2

About 1-(1-methylpyrazol-3-yl)-1-thiophen-2-ylethanol

1-(1-methylpyrazol-3-yl)-1-thiophen-2-ylethanol (PubChem CID 103130107) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-1-thiophen-2-ylethanol
PubChem CID103130107
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name1-(1-methylpyrazol-3-yl)-1-thiophen-2-ylethanol
SMILESCn1ccc(C(C)(O)c2cccs2)n1
InChIInChI=1S/C10H12N2OS/c1-10(13,9-4-3-7-14-9)8-5-6-12(2)11-8/h3-7,13H,1-2H3
InChIKeyWQWLZPLJZFOULM-UHFFFAOYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Dilopetine
CID 9816767
N-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine
CID 121429654
N-benzyl-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
CID 121429757
1-(1-Methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol
CID 155559694
(1,5-dimethyl-1H-pyrazol-3-yl)(thiophen-3-yl)methanol
CID 121553669
Dilopetine, (S)-
CID 9813942
(2R,3S)-2-(1-phenylpyrazol-4-yl)-3-thiophen-3-ylbutan-2-ol
CID 164674011
Dilopetine, (R)-
CID 9900003
(5-Fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 103138856
2-(4-Fluorophenyl)-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 109937217
(6-Fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 113779822
(1-(2-fluoroethyl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanol
CID 121211061

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-1-thiophen-2-ylethanol (CID 103130107) is 1-(1-methylpyrazol-3-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-1-thiophen-2-ylethanol is Cn1ccc(C(C)(O)c2cccs2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-1-thiophen-2-ylethanol?
The InChIKey is WQWLZPLJZFOULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-10(13,9-4-3-7-14-9)8-5-6-12(2)11-8/h3-7,13H,1-2H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-1-thiophen-2-ylethanol?
1-(1-methylpyrazol-3-yl)-1-thiophen-2-ylethanol has a molecular weight of 208.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 103130107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).