N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide

C15H21N7O2 — CID 122321653

IUPACN-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCCNc1cc(N2CCOCC2)cnn1
InChIInChI=1S/C15H21N7O2/c23-15(12-22-5-1-2-19-22)17-4-3-16-14-10-13(11-18-20-14)21-6-8-24-9-7-21/h1-2,5,10-11H,3-4,6-9,12H2,(H,16,20)(H,17,23)
InChIKeyCJWQWMBUAWRLPT-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.26
Rot. Bonds7

About N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide

N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide (PubChem CID 122321653) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide
PubChem CID122321653
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC NameN-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCCNc1cc(N2CCOCC2)cnn1
InChIInChI=1S/C15H21N7O2/c23-15(12-22-5-1-2-19-22)17-4-3-16-14-10-13(11-18-20-14)21-6-8-24-9-7-21/h1-2,5,10-11H,3-4,6-9,12H2,(H,16,20)(H,17,23)
InChIKeyCJWQWMBUAWRLPT-UHFFFAOYSA-N
XLogP-0.26
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide (CID 122321653) is N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)NCCNc1cc(N2CCOCC2)cnn1.
What is the InChIKey of N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide?
The InChIKey is CJWQWMBUAWRLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c23-15(12-22-5-1-2-19-22)17-4-3-16-14-10-13(11-18-20-14)21-6-8-24-9-7-21/h1-2,5,10-11H,3-4,6-9,12H2,(H,16,20)(H,17,23).
What are the key properties of N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide?
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide has a molecular weight of 331.38 g/mol, XLogP of -0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 122321653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).