3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-(2-methoxyethyl)propan-1-amine

C14H28N4O2 — CID 114664032

IUPAC3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1c(OC)cnn1CCN(C)C
InChIInChI=1S/C14H28N4O2/c1-17(2)9-10-18-13(14(20-4)12-16-18)6-5-7-15-8-11-19-3/h12,15H,5-11H2,1-4H3
InChIKeyWJUVDTOFCGFUPT-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.62
Rot. Bonds11

About 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-(2-methoxyethyl)propan-1-amine

3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-(2-methoxyethyl)propan-1-amine (PubChem CID 114664032) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-(2-methoxyethyl)propan-1-amine
PubChem CID114664032
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1c(OC)cnn1CCN(C)C
InChIInChI=1S/C14H28N4O2/c1-17(2)9-10-18-13(14(20-4)12-16-18)6-5-7-15-8-11-19-3/h12,15H,5-11H2,1-4H3
InChIKeyWJUVDTOFCGFUPT-UHFFFAOYSA-N
XLogP0.62
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
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

2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 114662832
2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662835
N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine
CID 114652225
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methoxybutan-1-ol
CID 114643797
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4,4-dimethylpentan-3-one
CID 114663591
2-[5-(3-chloro-4,4-dimethylpentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114665311
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 114664539
1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde
CID 114640202
2-[5-(3-chloro-2-methylpropyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114665514
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxypropan-1-one
CID 114639473
4-bromo-2-[2-(dimethylamino)ethyl]-5-[2-(2-methoxyethylamino)ethylamino]pyridazin-3-one
CID 114447121
2-[5-(3-chloro-3-cyclopropylpropyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114665294

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-(2-methoxyethyl)propan-1-amine (CID 114664032) is 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-(2-methoxyethyl)propan-1-amine is COCCNCCCc1c(OC)cnn1CCN(C)C.
What is the InChIKey of 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is WJUVDTOFCGFUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-17(2)9-10-18-13(14(20-4)12-16-18)6-5-7-15-8-11-19-3/h12,15H,5-11H2,1-4H3.
What are the key properties of 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-(2-methoxyethyl)propan-1-amine?
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 0.62, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 114664032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).