1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol

C13H18N2OS — CID 79583541

IUPAC1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2cnn(C)c2C)s1
InChIInChI=1S/C13H18N2OS/c1-4-10-5-6-11(17-10)7-13(16)12-8-14-15(3)9(12)2/h5-6,8,13,16H,4,7H2,1-3H3
InChIKeyDYEWSQSDYJUEPZ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.63
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol

1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol (PubChem CID 79583541) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
PubChem CID79583541
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2cnn(C)c2C)s1
InChIInChI=1S/C13H18N2OS/c1-4-10-5-6-11(17-10)7-13(16)12-8-14-15(3)9(12)2/h5-6,8,13,16H,4,7H2,1-3H3
InChIKeyDYEWSQSDYJUEPZ-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)butan-1-ol
CID 79584948
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
1-(2,3-dimethylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 65148352
1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol
CID 79569749
1-(1,5-dimethylpyrazol-4-yl)decan-1-ol
CID 79584764
1-(1,5-dimethylpyrazol-4-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 79584013
1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol
CID 79584284
2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol
CID 104504624
(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 96631923
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744159
2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978250
2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
CID 79233820

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol (CID 79583541) is 1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol is CCc1ccc(CC(O)c2cnn(C)c2C)s1.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol?
The InChIKey is DYEWSQSDYJUEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-4-10-5-6-11(17-10)7-13(16)12-8-14-15(3)9(12)2/h5-6,8,13,16H,4,7H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol?
1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol has a molecular weight of 250.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 79583541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).