N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide

C22H32N4O2 — CID 55631633

IUPACN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCN2CC(C)OC(C)C2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C22H32N4O2/c1-5-21-20(13-24-26(21)19-9-7-16(2)8-10-19)22(27)23-11-6-12-25-14-17(3)28-18(4)15-25/h7-10,13,17-18H,5-6,11-12,14-15H2,1-4H3,(H,23,27)
InChIKeyWXJJIAGMWLZGQF-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.97
Rot. Bonds7

About N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide

N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 55631633) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID55631633
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCN2CC(C)OC(C)C2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C22H32N4O2/c1-5-21-20(13-24-26(21)19-9-7-16(2)8-10-19)22(27)23-11-6-12-25-14-17(3)28-18(4)15-25/h7-10,13,17-18H,5-6,11-12,14-15H2,1-4H3,(H,23,27)
InChIKeyWXJJIAGMWLZGQF-UHFFFAOYSA-N
XLogP2.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide
CID 30837416
5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
CID 134034900
5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78854292
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55831374
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55786497
5-ethyl-N-(4-methylcyclohexyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46582332
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-methylphenyl)urea
CID 51334002
tert-butyl 4-[3-[(5-ethyl-1-phenylpyrazole-4-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 55866016
N-(3-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
CID 51725583
5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide
CID 60545454

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide (CID 55631633) is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCCCN2CC(C)OC(C)C2)cnn1-c1ccc(C)cc1.
What is the InChIKey of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is WXJJIAGMWLZGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-5-21-20(13-24-26(21)19-9-7-16(2)8-10-19)22(27)23-11-6-12-25-14-17(3)28-18(4)15-25/h7-10,13,17-18H,5-6,11-12,14-15H2,1-4H3,(H,23,27).
What are the key properties of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55631633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).