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

C19H23N4O2S+ — CID 7250102

IUPAC2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium
SMILESCOc1ccc(-n2nc(-c3cccs3)cc2C(=O)NCC[NH+](C)C)cc1
InChIInChI=1S/C19H22N4O2S/c1-22(2)11-10-20-19(24)17-13-16(18-5-4-12-26-18)21-23(17)14-6-8-15(25-3)9-7-14/h4-9,12-13H,10-11H2,1-3H3,(H,20,24)/p+1
InChIKeyJFNBPNVEOMHUSS-UHFFFAOYSA-O
MW371.49 g/mol
LogP1.48
Rot. Bonds7

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

2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium (PubChem CID 7250102) has the molecular formula C19H23N4O2S+ and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium
PubChem CID7250102
Molecular FormulaC19H23N4O2S+
Molecular Weight371.49 g/mol
Exact Mass371.15
IUPAC Name2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium
SMILESCOc1ccc(-n2nc(-c3cccs3)cc2C(=O)NCC[NH+](C)C)cc1
InChIInChI=1S/C19H22N4O2S/c1-22(2)11-10-20-19(24)17-13-16(18-5-4-12-26-18)21-23(17)14-6-8-15(25-3)9-7-14/h4-9,12-13H,10-11H2,1-3H3,(H,20,24)/p+1
InChIKeyJFNBPNVEOMHUSS-UHFFFAOYSA-O
XLogP1.48
TPSA60.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4212404
2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium
CID 7201673
1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxylate
CID 6946083
N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7899964
N-butyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514814
1-(4-chlorophenyl)-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3468466
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761828
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4541303
1-(4-methylphenyl)-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812787
N-(2,2-diethoxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4787832
1-(3,4-dichlorophenyl)-N-hexyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4537760
N-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3359659

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium?
The IUPAC name of 2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium (CID 7250102) is 2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium is COc1ccc(-n2nc(-c3cccs3)cc2C(=O)NCC[NH+](C)C)cc1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium?
The InChIKey is JFNBPNVEOMHUSS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N4O2S/c1-22(2)11-10-20-19(24)17-13-16(18-5-4-12-26-18)21-23(17)14-6-8-15(25-3)9-7-14/h4-9,12-13H,10-11H2,1-3H3,(H,20,24)/p+1.
What are the key properties of 2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium?
2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium has a molecular weight of 371.49 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 7250102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).