1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide

C19H28N6O3 — CID 120887927

IUPAC1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide
SMILESCCOc1ccc(-n2ncc(C(=O)NCC3(COC)CCNCC3)c2C)nn1
InChIInChI=1S/C19H28N6O3/c1-4-28-17-6-5-16(23-24-17)25-14(2)15(11-22-25)18(26)21-12-19(13-27-3)7-9-20-10-8-19/h5-6,11,20H,4,7-10,12-13H2,1-3H3,(H,21,26)
InChIKeyGZTNKBGLLWVJKF-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.12
Rot. Bonds8

About 1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide

1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide (PubChem CID 120887927) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide
PubChem CID120887927
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide
SMILESCCOc1ccc(-n2ncc(C(=O)NCC3(COC)CCNCC3)c2C)nn1
InChIInChI=1S/C19H28N6O3/c1-4-28-17-6-5-16(23-24-17)25-14(2)15(11-22-25)18(26)21-12-19(13-27-3)7-9-20-10-8-19/h5-6,11,20H,4,7-10,12-13H2,1-3H3,(H,21,26)
InChIKeyGZTNKBGLLWVJKF-UHFFFAOYSA-N
XLogP1.12
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.12
H-Bond Donors ≤ 52
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
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120890519
5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 120890805
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120890762
2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888755
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 120888817
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120889122
[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994896
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 37216345

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide (CID 120887927) is 1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide is CCOc1ccc(-n2ncc(C(=O)NCC3(COC)CCNCC3)c2C)nn1.
What is the InChIKey of 1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is GZTNKBGLLWVJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-4-28-17-6-5-16(23-24-17)25-14(2)15(11-22-25)18(26)21-12-19(13-27-3)7-9-20-10-8-19/h5-6,11,20H,4,7-10,12-13H2,1-3H3,(H,21,26).
What are the key properties of 1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide?
1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxypyridazin-3-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 120887927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).