1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

C23H28N6O3 — CID 37216345

IUPAC1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCCOc1ccc(-n2ncc(C(=O)NCc3ccccc3CN3CCOCC3)c2C)nn1
InChIInChI=1S/C23H28N6O3/c1-3-32-22-9-8-21(26-27-22)29-17(2)20(15-25-29)23(30)24-14-18-6-4-5-7-19(18)16-28-10-12-31-13-11-28/h4-9,15H,3,10-14,16H2,1-2H3,(H,24,30)
InChIKeyFJNGTEVXLSMUOJ-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.13
Rot. Bonds8

About 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 37216345) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID37216345
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCCOc1ccc(-n2ncc(C(=O)NCc3ccccc3CN3CCOCC3)c2C)nn1
InChIInChI=1S/C23H28N6O3/c1-3-32-22-9-8-21(26-27-22)29-17(2)20(15-25-29)23(30)24-14-18-6-4-5-7-19(18)16-28-10-12-31-13-11-28/h4-9,15H,3,10-14,16H2,1-2H3,(H,24,30)
InChIKeyFJNGTEVXLSMUOJ-UHFFFAOYSA-N
XLogP2.13
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
CID 120828707
3-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55882954
1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 38740973
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxylate
CID 42895441
1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide
CID 120887927
2-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60668732
3,5-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 31787078
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 37216371
4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481299
(2R)-2-[[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 166227456
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 37216345) is 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is CCOc1ccc(-n2ncc(C(=O)NCc3ccccc3CN3CCOCC3)c2C)nn1.
What is the InChIKey of 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is FJNGTEVXLSMUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-3-32-22-9-8-21(26-27-22)29-17(2)20(15-25-29)23(30)24-14-18-6-4-5-7-19(18)16-28-10-12-31-13-11-28/h4-9,15H,3,10-14,16H2,1-2H3,(H,24,30).
What are the key properties of 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 37216345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).