1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine

C12H24N4O2 — CID 62137166

IUPAC1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine
SMILESCOCCCN(CCOC)CCn1cc(N)cn1
InChIInChI=1S/C12H24N4O2/c1-17-8-3-4-15(7-9-18-2)5-6-16-11-12(13)10-14-16/h10-11H,3-9,13H2,1-2H3
InChIKeyDZTYKZJVUNQWEE-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.45
Rot. Bonds10

About 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine

1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine (PubChem CID 62137166) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine
PubChem CID62137166
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine
SMILESCOCCCN(CCOC)CCn1cc(N)cn1
InChIInChI=1S/C12H24N4O2/c1-17-8-3-4-15(7-9-18-2)5-6-16-11-12(13)10-14-16/h10-11H,3-9,13H2,1-2H3
InChIKeyDZTYKZJVUNQWEE-UHFFFAOYSA-N
XLogP0.45
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.45
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine (CID 62137166) is 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine is COCCCN(CCOC)CCn1cc(N)cn1.
What is the InChIKey of 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine?
The InChIKey is DZTYKZJVUNQWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-17-8-3-4-15(7-9-18-2)5-6-16-11-12(13)10-14-16/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine?
1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine has a molecular weight of 256.35 g/mol, XLogP of 0.45, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]pyrazol-4-amine is sourced from PubChem (CID 62137166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).