N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine

C13H25N3O2 — CID 103412841

IUPACN-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine
SMILESCCNC(C)c1cnn(CCCOCCOC)c1
InChIInChI=1S/C13H25N3O2/c1-4-14-12(2)13-10-15-16(11-13)6-5-7-18-9-8-17-3/h10-12,14H,4-9H2,1-3H3
InChIKeyMVOKCUHCVGBIGJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.61
Rot. Bonds10

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

N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine (PubChem CID 103412841) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine
PubChem CID103412841
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine
SMILESCCNC(C)c1cnn(CCCOCCOC)c1
InChIInChI=1S/C13H25N3O2/c1-4-14-12(2)13-10-15-16(11-13)6-5-7-18-9-8-17-3/h10-12,14H,4-9H2,1-3H3
InChIKeyMVOKCUHCVGBIGJ-UHFFFAOYSA-N
XLogP1.61
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.61
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

1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine
CID 103412839
1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine
CID 104649601
N-[[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 103412837
1-[1-(2-butoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 62731777
3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115704376
[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol
CID 103412880
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrazol-4-yl]ethanamine
CID 79229111
3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 114130438
N-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine
CID 65177937
1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol
CID 104566990
N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine
CID 114265888

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine (CID 103412841) is N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine is CCNC(C)c1cnn(CCCOCCOC)c1.
What is the InChIKey of N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine?
The InChIKey is MVOKCUHCVGBIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-14-12(2)13-10-15-16(11-13)6-5-7-18-9-8-17-3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine?
N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 1.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 103412841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).