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

C15H22N6O — CID 16654552

IUPAC2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C15H22N6O/c1-3-12(4-2)15(22)17-10-9-16-13-6-7-14(20-19-13)21-11-5-8-18-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,22)
InChIKeyAEZORJPEEVGPGB-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.63
Rot. Bonds8

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

2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide (PubChem CID 16654552) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
PubChem CID16654552
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C15H22N6O/c1-3-12(4-2)15(22)17-10-9-16-13-6-7-14(20-19-13)21-11-5-8-18-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,22)
InChIKeyAEZORJPEEVGPGB-UHFFFAOYSA-N
XLogP1.63
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.63
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

1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122292682
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 56699820
2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292745
2-[methyl(methylsulfonyl)amino]-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292782
5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122292729
N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide
CID 16654512
N-ethyl-6-pyrazol-1-ylpyridazin-3-amine
CID 130693230
2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 16654523
(E)-3-(2-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]prop-2-enamide
CID 122292858
3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292805
1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 47000825

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide (CID 16654552) is 2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide is CCC(CC)C(=O)NCCNc1ccc(-n2cccn2)nn1.
What is the InChIKey of 2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide?
The InChIKey is AEZORJPEEVGPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-3-12(4-2)15(22)17-10-9-16-13-6-7-14(20-19-13)21-11-5-8-18-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,22).
What are the key properties of 2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide?
2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide has a molecular weight of 302.38 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide is sourced from PubChem (CID 16654552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).