N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine

C13H25N3O3S — CID 66440607

IUPACN-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCc1c(CNCCOC)cnn1CCS(=O)(=O)CC
InChIInChI=1S/C13H25N3O3S/c1-4-13-12(10-14-6-8-19-3)11-15-16(13)7-9-20(17,18)5-2/h11,14H,4-10H2,1-3H3
InChIKeyCRDKLFZCSXNMCI-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.62
Rot. Bonds10

About N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine

N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 66440607) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID66440607
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCc1c(CNCCOC)cnn1CCS(=O)(=O)CC
InChIInChI=1S/C13H25N3O3S/c1-4-13-12(10-14-6-8-19-3)11-15-16(13)7-9-20(17,18)5-2/h11,14H,4-10H2,1-3H3
InChIKeyCRDKLFZCSXNMCI-UHFFFAOYSA-N
XLogP0.62
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine
CID 66442022
N-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66441716
N-[[5-cyclopropyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66441422
N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66441882
N-[[1-(4-chloro-3-fluorophenyl)-5-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79132895
N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine
CID 114652221
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
CID 103851543
N-[[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 106717707
2-methoxy-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]ethanamine
CID 83169846
2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine
CID 66036894
N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine
CID 114652225
N-[[1-(3-ethylsulfonylpropyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720370

Frequently Asked Questions

What is the IUPAC name of N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine (CID 66440607) is N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine is CCc1c(CNCCOC)cnn1CCS(=O)(=O)CC.
What is the InChIKey of N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is CRDKLFZCSXNMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-4-13-12(10-14-6-8-19-3)11-15-16(13)7-9-20(17,18)5-2/h11,14H,4-10H2,1-3H3.
What are the key properties of N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 303.43 g/mol, XLogP of 0.62, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66440607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).