1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol

C11H14N2OS — CID 63220679

IUPAC1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol
SMILESCCn1cc(C(C)(O)c2cccs2)cn1
InChIInChI=1S/C11H14N2OS/c1-3-13-8-9(7-12-13)11(2,14)10-5-4-6-15-10/h4-8,14H,3H2,1-2H3
InChIKeyYFKBFEBSTVLMMS-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.22
Rot. Bonds3

About 1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol

1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol (PubChem CID 63220679) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol
PubChem CID63220679
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol
SMILESCCn1cc(C(C)(O)c2cccs2)cn1
InChIInChI=1S/C11H14N2OS/c1-3-13-8-9(7-12-13)11(2,14)10-5-4-6-15-10/h4-8,14H,3H2,1-2H3
InChIKeyYFKBFEBSTVLMMS-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol
CID 63220765
3-amino-2-(1-ethylpyrazol-4-yl)butan-2-ol
CID 130574320
1-(3,4-dichlorophenyl)-1-thiophen-2-ylethanol
CID 63220767
1-(4-butylphenyl)-1-thiophen-2-ylethanol
CID 58735357
2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol
CID 66039566
1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol
CID 66038938
2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
CID 81020936
1-(5-methylthiophen-3-yl)-1-thiophen-2-ylethanol
CID 65099550
1-quinolin-3-yl-1-thiophen-2-ylethanol
CID 55163309
1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol
CID 63220271
4-tert-butyl-1-thiophen-2-ylpyrazole
CID 155787866
2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol
CID 66036811

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol (CID 63220679) is 1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol is CCn1cc(C(C)(O)c2cccs2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol?
The InChIKey is YFKBFEBSTVLMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-13-8-9(7-12-13)11(2,14)10-5-4-6-15-10/h4-8,14H,3H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol?
1-(1-ethylpyrazol-4-yl)-1-thiophen-2-ylethanol has a molecular weight of 222.31 g/mol, XLogP of 2.22, 3 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)-1-thiophen-2-ylethanol is sourced from PubChem (CID 63220679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).