1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol

C12H16N2OS — CID 63220272

IUPAC1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol
SMILESCCn1cc(CC(C)(O)c2cccs2)cn1
InChIInChI=1S/C12H16N2OS/c1-3-14-9-10(8-13-14)7-12(2,15)11-5-4-6-16-11/h4-6,8-9,15H,3,7H2,1-2H3
InChIKeyZRWKXDFPMLGHAK-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.41
Rot. Bonds4

About 1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol

1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol (PubChem CID 63220272) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol
PubChem CID63220272
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol
SMILESCCn1cc(CC(C)(O)c2cccs2)cn1
InChIInChI=1S/C12H16N2OS/c1-3-14-9-10(8-13-14)7-12(2,15)11-5-4-6-16-11/h4-6,8-9,15H,3,7H2,1-2H3
InChIKeyZRWKXDFPMLGHAK-UHFFFAOYSA-N
XLogP2.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidin-4-yl)(2-thienyl)methanol
CID 16190164
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
1-Methyl-4-[1-(5-propan-2-ylthiophen-3-yl)propan-2-yl]pyrazole
CID 134224882
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
1-(5-Bromo-4-methylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027876
3-(1-Methylpyrazol-4-yl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol
CID 103027895
1-(5-Bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027898
1-(3-Ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027918
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027953

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol (CID 63220272) is 1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol is CCn1cc(CC(C)(O)c2cccs2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol?
The InChIKey is ZRWKXDFPMLGHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-14-9-10(8-13-14)7-12(2,15)11-5-4-6-16-11/h4-6,8-9,15H,3,7H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol?
1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol has a molecular weight of 236.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 63220272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).