1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol

C9H10N2O2S — CID 155525321

IUPAC1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol
SMILESOCC(O)c1cc(-c2ccsc2)n[nH]1
InChIInChI=1S/C9H10N2O2S/c12-4-9(13)8-3-7(10-11-8)6-1-2-14-5-6/h1-3,5,9,12-13H,4H2,(H,10,11)
InChIKeyMOFNFDFHQJLPSU-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.16
Rot. Bonds3

About 1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol

1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol (PubChem CID 155525321) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol
PubChem CID155525321
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol
SMILESOCC(O)c1cc(-c2ccsc2)n[nH]1
InChIInChI=1S/C9H10N2O2S/c12-4-9(13)8-3-7(10-11-8)6-1-2-14-5-6/h1-3,5,9,12-13H,4H2,(H,10,11)
InChIKeyMOFNFDFHQJLPSU-UHFFFAOYSA-N
XLogP1.16
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol?
The IUPAC name of 1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol (CID 155525321) is 1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol?
The canonical SMILES for 1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol is OCC(O)c1cc(-c2ccsc2)n[nH]1.
What is the InChIKey of 1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol?
The InChIKey is MOFNFDFHQJLPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c12-4-9(13)8-3-7(10-11-8)6-1-2-14-5-6/h1-3,5,9,12-13H,4H2,(H,10,11).
What are the key properties of 1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol?
1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol has a molecular weight of 210.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-thiophen-3-yl-1H-pyrazol-5-yl)ethane-1,2-diol is sourced from PubChem (CID 155525321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).