N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine

C15H29N3O2 — CID 103413495

IUPACN-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCCNCCc1c(C)nn(CCCOCCOC)c1C
InChIInChI=1S/C15H29N3O2/c1-5-16-8-7-15-13(2)17-18(14(15)3)9-6-10-20-12-11-19-4/h16H,5-12H2,1-4H3
InChIKeyVGQXNLXTNWBMLL-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.71
Rot. Bonds11

About N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine

N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine (PubChem CID 103413495) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine
PubChem CID103413495
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCCNCCc1c(C)nn(CCCOCCOC)c1C
InChIInChI=1S/C15H29N3O2/c1-5-16-8-7-15-13(2)17-18(14(15)3)9-6-10-20-12-11-19-4/h16H,5-12H2,1-4H3
InChIKeyVGQXNLXTNWBMLL-UHFFFAOYSA-N
XLogP1.71
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 65178167
N-[2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
CID 65178222
N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 62732261
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 61483845
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]guanidine;hydroiodide
CID 111404256
4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpyrazole
CID 104565540
N-ethyl-3-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 102929114
2-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)ethanamine
CID 82924715
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 61483888
N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine
CID 106458284
N-[[3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methyl]propan-1-amine
CID 61491806
1-[3-(2-methoxyethoxy)propyl]-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylguanidine
CID 111406727

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine (CID 103413495) is N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine is CCNCCc1c(C)nn(CCCOCCOC)c1C.
What is the InChIKey of N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
The InChIKey is VGQXNLXTNWBMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-5-16-8-7-15-13(2)17-18(14(15)3)9-6-10-20-12-11-19-4/h16H,5-12H2,1-4H3.
What are the key properties of N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine?
N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 1.71, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 103413495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).