1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol

C11H14N2OS — CID 83091790

IUPAC1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol
SMILESCc1nn(C)cc1C(O)Cc1cccs1
InChIInChI=1S/C11H14N2OS/c1-8-10(7-13(2)12-8)11(14)6-9-4-3-5-15-9/h3-5,7,11,14H,6H2,1-2H3
InChIKeyMJQKPUYNAJIVMD-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.07
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol

1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol (PubChem CID 83091790) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol
PubChem CID83091790
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol
SMILESCc1nn(C)cc1C(O)Cc1cccs1
InChIInChI=1S/C11H14N2OS/c1-8-10(7-13(2)12-8)11(14)6-9-4-3-5-15-9/h3-5,7,11,14H,6H2,1-2H3
InChIKeyMJQKPUYNAJIVMD-UHFFFAOYSA-N
XLogP2.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 83091670
1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylethanol
CID 62501851
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine
CID 102803051
1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylethanol
CID 127004646
1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanone
CID 102802696
1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 81477466
1-(1,3-dimethylpyrazol-4-yl)butan-1-ol
CID 83090747
2-(2-chloro-3-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 112653181
N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 102803050
1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol
CID 107502914
2-(2-chloro-4-methylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 106866587

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol (CID 83091790) is 1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol is Cc1nn(C)cc1C(O)Cc1cccs1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol?
The InChIKey is MJQKPUYNAJIVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-10(7-13(2)12-8)11(14)6-9-4-3-5-15-9/h3-5,7,11,14H,6H2,1-2H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol?
1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol has a molecular weight of 222.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 83091790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).