1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol

C13H21ClN2O2S — CID 114643886

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol
SMILESCOCCn1ncc(Cl)c1C(O)CSC1CCCC1
InChIInChI=1S/C13H21ClN2O2S/c1-18-7-6-16-13(11(14)8-15-16)12(17)9-19-10-4-2-3-5-10/h8,10,12,17H,2-7,9H2,1H3
InChIKeyHETVFMDLTGCGSC-UHFFFAOYSA-N
MW304.84 g/mol
LogP2.89
Rot. Bonds7

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol (PubChem CID 114643886) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol
PubChem CID114643886
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol
SMILESCOCCn1ncc(Cl)c1C(O)CSC1CCCC1
InChIInChI=1S/C13H21ClN2O2S/c1-18-7-6-16-13(11(14)8-15-16)12(17)9-19-10-4-2-3-5-10/h8,10,12,17H,2-7,9H2,1H3
InChIKeyHETVFMDLTGCGSC-UHFFFAOYSA-N
XLogP2.89
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethanol
CID 114644981
7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839462
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxan-2-yl)ethanol
CID 114645474
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxybutan-1-ol
CID 114645459
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methoxyethoxy)propan-1-ol
CID 102927629
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylpentan-1-ol
CID 115839361
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol
CID 105132601
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-ol
CID 114634657
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine
CID 105204303
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine
CID 114654108
1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylsulfanylethanol
CID 114643899
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3,4-dimethylphenyl)ethanol
CID 114643482

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol (CID 114643886) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol is COCCn1ncc(Cl)c1C(O)CSC1CCCC1.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol?
The InChIKey is HETVFMDLTGCGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S/c1-18-7-6-16-13(11(14)8-15-16)12(17)9-19-10-4-2-3-5-10/h8,10,12,17H,2-7,9H2,1H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol has a molecular weight of 304.84 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol is sourced from PubChem (CID 114643886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).