2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine

C15H29N3O3 — CID 104567009

IUPAC2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine
SMILESCCCCOCCOCCOCCn1cc(CCN)cn1
InChIInChI=1S/C15H29N3O3/c1-2-3-7-19-9-11-21-12-10-20-8-6-18-14-15(4-5-16)13-17-18/h13-14H,2-12,16H2,1H3
InChIKeyJCPXBHLXXVQIIJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.23
Rot. Bonds14

About 2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine

2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine (PubChem CID 104567009) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine
PubChem CID104567009
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine
SMILESCCCCOCCOCCOCCn1cc(CCN)cn1
InChIInChI=1S/C15H29N3O3/c1-2-3-7-19-9-11-21-12-10-20-8-6-18-14-15(4-5-16)13-17-18/h13-14H,2-12,16H2,1H3
InChIKeyJCPXBHLXXVQIIJ-UHFFFAOYSA-N
XLogP1.23
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.23
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-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine
CID 62731510
1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol
CID 104566990
2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
CID 106730698
1,4-dipentylpyrazole
CID 70562897
1-[1-(2-butoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 62731777
2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine
CID 103037083
4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole
CID 104567003
4-(chloromethyl)-1-(2-ethoxyethyl)pyrazole
CID 62729841
[1-(2-ethoxyethyl)pyrazol-4-yl]methanol
CID 62731815
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole
CID 146261363
2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine
CID 60874221

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine (CID 104567009) is 2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine is CCCCOCCOCCOCCn1cc(CCN)cn1.
What is the InChIKey of 2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine?
The InChIKey is JCPXBHLXXVQIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-2-3-7-19-9-11-21-12-10-20-8-6-18-14-15(4-5-16)13-17-18/h13-14H,2-12,16H2,1H3.
What are the key properties of 2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine?
2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine has a molecular weight of 299.42 g/mol, XLogP of 1.23, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 104567009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).