1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol

C14H20ClN3OS — CID 114910706

IUPAC1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(C)(O)c2c(Cl)cnn2CCN(C)C)s1
InChIInChI=1S/C14H20ClN3OS/c1-10-5-6-12(20-10)14(2,19)13-11(15)9-16-18(13)8-7-17(3)4/h5-6,9,19H,7-8H2,1-4H3
InChIKeyCOASXPRECPFLMU-UHFFFAOYSA-N
MW313.85 g/mol
LogP2.72
Rot. Bonds5

About 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol (PubChem CID 114910706) has the molecular formula C14H20ClN3OS and a molecular weight of 313.85 g/mol. Its IUPAC name is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol
PubChem CID114910706
Molecular FormulaC14H20ClN3OS
Molecular Weight313.85 g/mol
Exact Mass313.10
IUPAC Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(C)(O)c2c(Cl)cnn2CCN(C)C)s1
InChIInChI=1S/C14H20ClN3OS/c1-10-5-6-12(20-10)14(2,19)13-11(15)9-16-18(13)8-7-17(3)4/h5-6,9,19H,7-8H2,1-4H3
InChIKeyCOASXPRECPFLMU-UHFFFAOYSA-N
XLogP2.72
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol
CID 114635759
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol
CID 114633412
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal
CID 114636632
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol
CID 114865114
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol
CID 114666035
2-[4-chloro-5-[methylamino-(5-methylthiophen-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039019
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethylpropan-1-ol
CID 114635694
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
CID 114436764
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol
CID 114633471
2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114652025
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635725
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methylphenyl)ethanol
CID 114633352

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol?
The IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol (CID 114910706) is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol?
The canonical SMILES for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol is Cc1ccc(C(C)(O)c2c(Cl)cnn2CCN(C)C)s1.
What is the InChIKey of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol?
The InChIKey is COASXPRECPFLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3OS/c1-10-5-6-12(20-10)14(2,19)13-11(15)9-16-18(13)8-7-17(3)4/h5-6,9,19H,7-8H2,1-4H3.
What are the key properties of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol?
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol has a molecular weight of 313.85 g/mol, XLogP of 2.72, 5 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]-1-(5-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 114910706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).