N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide

C18H24N4O3 — CID 95144214

IUPACN-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide
SMILESCOC[C@@H](NC(=O)c1ccccc1N1CCOCC1)c1ccnn1C
InChIInChI=1S/C18H24N4O3/c1-21-17(7-8-19-21)15(13-24-2)20-18(23)14-5-3-4-6-16(14)22-9-11-25-12-10-22/h3-8,15H,9-13H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyFHPDHIXNYPIZEH-OAHLLOKOSA-N
MW344.42 g/mol
LogP1.37
Rot. Bonds6

About N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide

N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide (PubChem CID 95144214) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide
PubChem CID95144214
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide
SMILESCOC[C@@H](NC(=O)c1ccccc1N1CCOCC1)c1ccnn1C
InChIInChI=1S/C18H24N4O3/c1-21-17(7-8-19-21)15(13-24-2)20-18(23)14-5-3-4-6-16(14)22-9-11-25-12-10-22/h3-8,15H,9-13H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyFHPDHIXNYPIZEH-OAHLLOKOSA-N
XLogP1.37
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-ylbenzohydrazide
CID 7148386
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99948395
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 126425657
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide
CID 135092129
2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 135104273
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 126451107
2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 124850321
2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 70751053
N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide
CID 50956729
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 95525394
N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide
CID 48982884
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-morpholin-4-ylbenzamide
CID 131942666

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide (CID 95144214) is N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide is COC[C@@H](NC(=O)c1ccccc1N1CCOCC1)c1ccnn1C.
What is the InChIKey of N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide?
The InChIKey is FHPDHIXNYPIZEH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-21-17(7-8-19-21)15(13-24-2)20-18(23)14-5-3-4-6-16(14)22-9-11-25-12-10-22/h3-8,15H,9-13H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide?
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide has a molecular weight of 344.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 95144214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).