1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol

C14H19ClN2OS — CID 103408103

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2scc(C)c2Cl)n(CC)n1
InChIInChI=1S/C14H19ClN2OS/c1-4-10-6-11(17(5-2)16-10)7-12(18)14-13(15)9(3)8-19-14/h6,8,12,18H,4-5,7H2,1-3H3
InChIKeyHEEBWWZRIHLCPU-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.76
Rot. Bonds5

About 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol

1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol (PubChem CID 103408103) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol
PubChem CID103408103
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2scc(C)c2Cl)n(CC)n1
InChIInChI=1S/C14H19ClN2OS/c1-4-10-6-11(17(5-2)16-10)7-12(18)14-13(15)9(3)8-19-14/h6,8,12,18H,4-5,7H2,1-3H3
InChIKeyHEEBWWZRIHLCPU-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408089
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 103407763
1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 103406541
1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 103407860
1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065771
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408238
2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103407934
1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol
CID 112575301
1-(3-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 103407883
1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476
(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile
CID 115480834

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol (CID 103408103) is 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol is CCc1cc(CC(O)c2scc(C)c2Cl)n(CC)n1.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol?
The InChIKey is HEEBWWZRIHLCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-4-10-6-11(17(5-2)16-10)7-12(18)14-13(15)9(3)8-19-14/h6,8,12,18H,4-5,7H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol?
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol has a molecular weight of 298.84 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol is sourced from PubChem (CID 103408103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).