N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide

C18H24N4O2 — CID 97214308

IUPACN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide
SMILESC[C@H]1CN(CCNC(=O)c2cccc(-n3cccn3)c2)C[C@H](C)O1
InChIInChI=1S/C18H24N4O2/c1-14-12-21(13-15(2)24-14)10-8-19-18(23)16-5-3-6-17(11-16)22-9-4-7-20-22/h3-7,9,11,14-15H,8,10,12-13H2,1-2H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyVGSBTCYGWYZPTK-GJZGRUSLSA-N
MW328.42 g/mol
LogP1.71
Rot. Bonds5

About N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide

N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide (PubChem CID 97214308) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide
PubChem CID97214308
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide
SMILESC[C@H]1CN(CCNC(=O)c2cccc(-n3cccn3)c2)C[C@H](C)O1
InChIInChI=1S/C18H24N4O2/c1-14-12-21(13-15(2)24-14)10-8-19-18(23)16-5-3-6-17(11-16)22-9-4-7-20-22/h3-7,9,11,14-15H,8,10,12-13H2,1-2H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyVGSBTCYGWYZPTK-GJZGRUSLSA-N
XLogP1.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-3-pyrazol-1-ylbenzamide
CID 95216055
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 95127238
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-hydroxybenzamide
CID 97347364
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-hydroxybenzamide
CID 75451905
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-pyrazol-1-ylbenzamide
CID 122246324
N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55580341
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-3-pyrazol-1-ylbenzamide
CID 121018531
3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43057311
4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43048352
3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246749
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide (CID 97214308) is N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide is C[C@H]1CN(CCNC(=O)c2cccc(-n3cccn3)c2)C[C@H](C)O1.
What is the InChIKey of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is VGSBTCYGWYZPTK-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-12-21(13-15(2)24-14)10-8-19-18(23)16-5-3-6-17(11-16)22-9-4-7-20-22/h3-7,9,11,14-15H,8,10,12-13H2,1-2H3,(H,19,23)/t14-,15-/m0/s1.
What are the key properties of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide?
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 328.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 97214308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).