3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide

C18H19ClN6O — CID 122292804

IUPAC3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C18H19ClN6O/c19-15-4-1-3-14(13-15)5-8-18(26)21-11-10-20-16-6-7-17(24-23-16)25-12-2-9-22-25/h1-4,6-7,9,12-13H,5,8,10-11H2,(H,20,23)(H,21,26)
InChIKeyLZSHHPAMPUDZDU-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.48
Rot. Bonds8

About 3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide

3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide (PubChem CID 122292804) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
PubChem CID122292804
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C18H19ClN6O/c19-15-4-1-3-14(13-15)5-8-18(26)21-11-10-20-16-6-7-17(24-23-16)25-12-2-9-22-25/h1-4,6-7,9,12-13H,5,8,10-11H2,(H,20,23)(H,21,26)
InChIKeyLZSHHPAMPUDZDU-UHFFFAOYSA-N
XLogP2.48
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292805
2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292661
2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292745
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
CID 122326910
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292723
benzyl N-[2-oxo-2-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]carbamate
CID 122292820
2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 16654523
3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 56699820
2-[methyl(methylsulfonyl)amino]-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292782
3-(3-chlorophenyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122327995

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide (CID 122292804) is 3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide is O=C(CCc1cccc(Cl)c1)NCCNc1ccc(-n2cccn2)nn1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide?
The InChIKey is LZSHHPAMPUDZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c19-15-4-1-3-14(13-15)5-8-18(26)21-11-10-20-16-6-7-17(24-23-16)25-12-2-9-22-25/h1-4,6-7,9,12-13H,5,8,10-11H2,(H,20,23)(H,21,26).
What are the key properties of 3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide?
3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide has a molecular weight of 370.84 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide is sourced from PubChem (CID 122292804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).