1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol

C11H13ClN2OS — CID 115811557

IUPAC1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(CC(O)c2sccc2Cl)n(C)n1
InChIInChI=1S/C11H13ClN2OS/c1-7-5-8(14(2)13-7)6-10(15)11-9(12)3-4-16-11/h3-5,10,15H,6H2,1-2H3
InChIKeyAVEAKGVTNSULOH-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.72
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol

1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol (PubChem CID 115811557) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
PubChem CID115811557
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(CC(O)c2sccc2Cl)n(C)n1
InChIInChI=1S/C11H13ClN2OS/c1-7-5-8(14(2)13-7)6-10(15)11-9(12)3-4-16-11/h3-5,10,15H,6H2,1-2H3
InChIKeyAVEAKGVTNSULOH-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 106693816
[2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105315842
2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 104996357
1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811518
1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol
CID 115828463
2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756242
1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 115822545
1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 115838295
1-(3-chlorothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002800
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999276
1-(1,5-dimethylpyrazol-4-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 79584013
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 104996146

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol (CID 115811557) is 1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol is Cc1cc(CC(O)c2sccc2Cl)n(C)n1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol?
The InChIKey is AVEAKGVTNSULOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-7-5-8(14(2)13-7)6-10(15)11-9(12)3-4-16-11/h3-5,10,15H,6H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol?
1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol has a molecular weight of 256.76 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 115811557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).