2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol

C15H19ClN2OS — CID 115813023

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
SMILESCCc1nn(C)c(CC(O)c2cc3c(s2)CCC3)c1Cl
InChIInChI=1S/C15H19ClN2OS/c1-3-10-15(16)11(18(2)17-10)8-12(19)14-7-9-5-4-6-13(9)20-14/h7,12,19H,3-6,8H2,1-2H3
InChIKeyTTWXHQXPTNQUGZ-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.46
Rot. Bonds4

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol (PubChem CID 115813023) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
PubChem CID115813023
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
SMILESCCc1nn(C)c(CC(O)c2cc3c(s2)CCC3)c1Cl
InChIInChI=1S/C15H19ClN2OS/c1-3-10-15(16)11(18(2)17-10)8-12(19)14-7-9-5-4-6-13(9)20-14/h7,12,19H,3-6,8H2,1-2H3
InChIKeyTTWXHQXPTNQUGZ-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 105316821
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 104998335
2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 107312537
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105107301
2-(2-chloro-5-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 102623142
2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115806455
2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115788325
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol
CID 115813118
2-(3,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 114980354
1-(2-amino-5-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 82684546
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 55150651

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol (CID 115813023) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol is CCc1nn(C)c(CC(O)c2cc3c(s2)CCC3)c1Cl.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
The InChIKey is TTWXHQXPTNQUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-3-10-15(16)11(18(2)17-10)8-12(19)14-7-9-5-4-6-13(9)20-14/h7,12,19H,3-6,8H2,1-2H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol has a molecular weight of 310.85 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol is sourced from PubChem (CID 115813023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).