N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine

C13H25N3O — CID 62564933

IUPACN-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCCOCCNCCn1nc(C)c(CC)c1C
InChIInChI=1S/C13H25N3O/c1-5-13-11(3)15-16(12(13)4)9-7-14-8-10-17-6-2/h14H,5-10H2,1-4H3
InChIKeyCEEAJPNFGVIDGO-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.69
Rot. Bonds8

About N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine

N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine (PubChem CID 62564933) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine
PubChem CID62564933
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCCOCCNCCn1nc(C)c(CC)c1C
InChIInChI=1S/C13H25N3O/c1-5-13-11(3)15-16(12(13)4)9-7-14-8-10-17-6-2/h14H,5-10H2,1-4H3
InChIKeyCEEAJPNFGVIDGO-UHFFFAOYSA-N
XLogP1.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]prop-2-yn-1-amine
CID 62566814
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 55088669
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]prop-2-en-1-amine
CID 62567598
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 62566583
2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 65178167
2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol
CID 75505877
N-[2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
CID 65178222
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine
CID 62567200
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 61483888
N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 62732261
1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 65178268
2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine
CID 63071239

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine?
The IUPAC name of N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine (CID 62564933) is N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine.
What is the SMILES notation for N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine?
The canonical SMILES for N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine is CCOCCNCCn1nc(C)c(CC)c1C.
What is the InChIKey of N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine?
The InChIKey is CEEAJPNFGVIDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-13-11(3)15-16(12(13)4)9-7-14-8-10-17-6-2/h14H,5-10H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine?
N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine has a molecular weight of 239.36 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 62564933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).