1-(3-methylthiophen-2-yl)-1-(1-propylpyrazol-4-yl)ethanol

C13H18N2OS — CID 63991315

IUPAC1-(3-methylthiophen-2-yl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(C)(O)c2sccc2C)cn1
InChIInChI=1S/C13H18N2OS/c1-4-6-15-9-11(8-14-15)13(3,16)12-10(2)5-7-17-12/h5,7-9,16H,4,6H2,1-3H3
InChIKeyABWPTVZTUUEZTC-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.92
Rot. Bonds4

About 1-(3-methylthiophen-2-yl)-1-(1-propylpyrazol-4-yl)ethanol

1-(3-methylthiophen-2-yl)-1-(1-propylpyrazol-4-yl)ethanol (PubChem CID 63991315) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-1-(1-propylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-1-(1-propylpyrazol-4-yl)ethanol
PubChem CID63991315
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-(3-methylthiophen-2-yl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(C)(O)c2sccc2C)cn1
InChIInChI=1S/C13H18N2OS/c1-4-6-15-9-11(8-14-15)13(3,16)12-10(2)5-7-17-12/h5,7-9,16H,4,6H2,1-3H3
InChIKeyABWPTVZTUUEZTC-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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
N-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 76147636
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 99873682
1-(3-Chlorothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027765
3-(1-Methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
CID 103027810
3-(1-Methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol
CID 103027895
1-(3-Ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027918
(2R,3S)-2-(1-phenylpyrazol-4-yl)-3-thiophen-3-ylbutan-2-ol
CID 164674011
(5-Fluoro-1-benzothiophen-2-yl)-(1-propylpyrazol-4-yl)methanol
CID 105080761
(1-Ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 105081817
2-(4-Fluorophenyl)-1-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 109937217
1-[[(3-Fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-2-thiophen-3-ylpropan-2-ol
CID 110010798

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-1-(1-propylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(3-methylthiophen-2-yl)-1-(1-propylpyrazol-4-yl)ethanol (CID 63991315) is 1-(3-methylthiophen-2-yl)-1-(1-propylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-1-(1-propylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-1-(1-propylpyrazol-4-yl)ethanol is CCCn1cc(C(C)(O)c2sccc2C)cn1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-1-(1-propylpyrazol-4-yl)ethanol?
The InChIKey is ABWPTVZTUUEZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-4-6-15-9-11(8-14-15)13(3,16)12-10(2)5-7-17-12/h5,7-9,16H,4,6H2,1-3H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-1-(1-propylpyrazol-4-yl)ethanol?
1-(3-methylthiophen-2-yl)-1-(1-propylpyrazol-4-yl)ethanol has a molecular weight of 250.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-1-(1-propylpyrazol-4-yl)ethanol is sourced from PubChem (CID 63991315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).