N-ethyl-N-(3-methylphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide

C24H28N4O2 — CID 50841366

IUPACN-ethyl-N-(3-methylphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide
SMILESCCN(C(=O)Cn1cc(-c2ccccc2)c(N2CCOCC2)n1)c1cccc(C)c1
InChIInChI=1S/C24H28N4O2/c1-3-28(21-11-7-8-19(2)16-21)23(29)18-27-17-22(20-9-5-4-6-10-20)24(25-27)26-12-14-30-15-13-26/h4-11,16-17H,3,12-15,18H2,1-2H3
InChIKeyZCLLIOAQDAGOLS-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.75
Rot. Bonds6

About N-ethyl-N-(3-methylphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide

N-ethyl-N-(3-methylphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide (PubChem CID 50841366) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide
PubChem CID50841366
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-ethyl-N-(3-methylphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide
SMILESCCN(C(=O)Cn1cc(-c2ccccc2)c(N2CCOCC2)n1)c1cccc(C)c1
InChIInChI=1S/C24H28N4O2/c1-3-28(21-11-7-8-19(2)16-21)23(29)18-27-17-22(20-9-5-4-6-10-20)24(25-27)26-12-14-30-15-13-26/h4-11,16-17H,3,12-15,18H2,1-2H3
InChIKeyZCLLIOAQDAGOLS-UHFFFAOYSA-N
XLogP3.75
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide (CID 50841366) is N-ethyl-N-(3-methylphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide is CCN(C(=O)Cn1cc(-c2ccccc2)c(N2CCOCC2)n1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide?
The InChIKey is ZCLLIOAQDAGOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-28(21-11-7-8-19(2)16-21)23(29)18-27-17-22(20-9-5-4-6-10-20)24(25-27)26-12-14-30-15-13-26/h4-11,16-17H,3,12-15,18H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide?
N-ethyl-N-(3-methylphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide has a molecular weight of 404.51 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide is sourced from PubChem (CID 50841366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).