1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol

C13H18ClN3OS — CID 105127306

IUPAC1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol
SMILESCN(C)CCn1ncc(Cl)c1C(O)Cc1ccsc1
InChIInChI=1S/C13H18ClN3OS/c1-16(2)4-5-17-13(11(14)8-15-17)12(18)7-10-3-6-19-9-10/h3,6,8-9,12,18H,4-5,7H2,1-2H3
InChIKeyBJSWXPMSDYIGKU-UHFFFAOYSA-N
MW299.83 g/mol
LogP2.44
Rot. Bonds6

About 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol (PubChem CID 105127306) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol
PubChem CID105127306
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol
SMILESCN(C)CCn1ncc(Cl)c1C(O)Cc1ccsc1
InChIInChI=1S/C13H18ClN3OS/c1-16(2)4-5-17-13(11(14)8-15-17)12(18)7-10-3-6-19-9-10/h3,6,8-9,12,18H,4-5,7H2,1-2H3
InChIKeyBJSWXPMSDYIGKU-UHFFFAOYSA-N
XLogP2.44
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol 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-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635725
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethylpropan-1-ol
CID 114635694
1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol
CID 105127674
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethylthiophen-2-yl)methanol
CID 115834330
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxyacetic acid
CID 114636529
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol
CID 115834359
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanol
CID 114638404
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408254
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-pyridinyl)methanol
CID 114644946
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(4-bromophenyl)ethanol
CID 114642923
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115834273
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methoxypropan-1-ol
CID 114644699

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol?
The IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol (CID 105127306) is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol?
The canonical SMILES for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol is CN(C)CCn1ncc(Cl)c1C(O)Cc1ccsc1.
What is the InChIKey of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol?
The InChIKey is BJSWXPMSDYIGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3OS/c1-16(2)4-5-17-13(11(14)8-15-17)12(18)7-10-3-6-19-9-10/h3,6,8-9,12,18H,4-5,7H2,1-2H3.
What are the key properties of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol?
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol has a molecular weight of 299.83 g/mol, XLogP of 2.44, 6 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-(dimethylamino)ethyl]pyrazol-5-yl]-2-thiophen-3-ylethanol is sourced from PubChem (CID 105127306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).