1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol

C10H10Cl2N2OS — CID 107969835

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(CC(O)c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C10H10Cl2N2OS/c1-14-3-2-6(13-14)4-8(15)7-5-9(11)16-10(7)12/h2-3,5,8,15H,4H2,1H3
InChIKeyVDNPZKQVMFQTDW-UHFFFAOYSA-N
MW277.18 g/mol
LogP3.06
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol

1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol (PubChem CID 107969835) has the molecular formula C10H10Cl2N2OS and a molecular weight of 277.18 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol
PubChem CID107969835
Molecular FormulaC10H10Cl2N2OS
Molecular Weight277.18 g/mol
Exact Mass275.99
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(CC(O)c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C10H10Cl2N2OS/c1-14-3-2-6(13-14)4-8(15)7-5-9(11)16-10(7)12/h2-3,5,8,15H,4H2,1H3
InChIKeyVDNPZKQVMFQTDW-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol 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-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82869875
1-(2,5-dichlorothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 107969731
1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82869812
1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828712
2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105121099
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 105121067
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(1-methylpyrazol-3-yl)ethanol
CID 82869567
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969729
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1-methylpyrazol-3-yl)ethanol
CID 115828715
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 63427104
1-(2-bromo-3,4-difluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 107538377
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 107968418

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol (CID 107969835) is 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol is Cn1ccc(CC(O)c2cc(Cl)sc2Cl)n1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is VDNPZKQVMFQTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2OS/c1-14-3-2-6(13-14)4-8(15)7-5-9(11)16-10(7)12/h2-3,5,8,15H,4H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol?
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol has a molecular weight of 277.18 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 107969835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).