1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide

C26H32N4O3 — CID 4010545

IUPAC1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCCN3CCOCC3)n(-c3ccc(C)cc3C)n2)c1
InChIInChI=1S/C26H32N4O3/c1-19-8-9-24(20(2)16-19)30-25(18-23(28-30)21-6-4-7-22(17-21)32-3)26(31)27-10-5-11-29-12-14-33-15-13-29/h4,6-9,16-18H,5,10-15H2,1-3H3,(H,27,31)
InChIKeyUAUGGRJUGMYLHB-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.62
Rot. Bonds8

About 1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide

1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide (PubChem CID 4010545) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
PubChem CID4010545
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCCN3CCOCC3)n(-c3ccc(C)cc3C)n2)c1
InChIInChI=1S/C26H32N4O3/c1-19-8-9-24(20(2)16-19)30-25(18-23(28-30)21-6-4-7-22(17-21)32-3)26(31)27-10-5-11-29-12-14-33-15-13-29/h4,6-9,16-18H,5,10-15H2,1-3H3,(H,27,31)
InChIKeyUAUGGRJUGMYLHB-UHFFFAOYSA-N
XLogP3.62
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3565112
[1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 3879205
3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 42758958
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-5-carboxamide
CID 4588029
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 3348957
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 3958388
1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 4297341
3-(2-chlorophenyl)-1-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 4527273
3-(furan-2-yl)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3293826
5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 17252860
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 3577494
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 42755478

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide (CID 4010545) is 1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NCCCN3CCOCC3)n(-c3ccc(C)cc3C)n2)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
The InChIKey is UAUGGRJUGMYLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-19-8-9-24(20(2)16-19)30-25(18-23(28-30)21-6-4-7-22(17-21)32-3)26(31)27-10-5-11-29-12-14-33-15-13-29/h4,6-9,16-18H,5,10-15H2,1-3H3,(H,27,31).
What are the key properties of 1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4010545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).