2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium

C18H19Cl2N4OS+ — CID 7201673

IUPAC2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)c1cc(-c2cccs2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N4OS/c1-23(2)8-7-21-18(25)16-11-15(17-4-3-9-26-17)22-24(16)12-5-6-13(19)14(20)10-12/h3-6,9-11H,7-8H2,1-2H3,(H,21,25)/p+1
InChIKeyORQHMQZQSGJSJQ-UHFFFAOYSA-O
MW410.35 g/mol
LogP2.78
Rot. Bonds6

About 2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium

2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium (PubChem CID 7201673) has the molecular formula C18H19Cl2N4OS+ and a molecular weight of 410.35 g/mol. Its IUPAC name is 2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium
PubChem CID7201673
Molecular FormulaC18H19Cl2N4OS+
Molecular Weight410.35 g/mol
Exact Mass409.07
IUPAC Name2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)c1cc(-c2cccs2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N4OS/c1-23(2)8-7-21-18(25)16-11-15(17-4-3-9-26-17)22-24(16)12-5-6-13(19)14(20)10-12/h3-6,9-11H,7-8H2,1-2H3,(H,21,25)/p+1
InChIKeyORQHMQZQSGJSJQ-UHFFFAOYSA-O
XLogP2.78
TPSA51.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium with MolForge

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Related Compounds

2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium
CID 7250102
1-(3,4-dichlorophenyl)-N-hexyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4537760
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761828
1-(4-chlorophenyl)-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3468466
1-(3,4-dichlorophenyl)-3-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42662978
1-(3-chlorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7218444
N-butyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514814
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4541303
N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4212404
N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762105
1-(4-methylphenyl)-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812787
2-[[1-(3-chlorophenyl)-3-(4-fluorophenyl)pyrazole-5-carbonyl]amino]ethyl-dimethylazanium
CID 7231781

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium?
The IUPAC name of 2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium (CID 7201673) is 2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium is C[NH+](C)CCNC(=O)c1cc(-c2cccs2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium?
The InChIKey is ORQHMQZQSGJSJQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18Cl2N4OS/c1-23(2)8-7-21-18(25)16-11-15(17-4-3-9-26-17)22-24(16)12-5-6-13(19)14(20)10-12/h3-6,9-11H,7-8H2,1-2H3,(H,21,25)/p+1.
What are the key properties of 2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium?
2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium has a molecular weight of 410.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 7201673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).