Skip to content

N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide

C23H24Cl2N4O2 — CID 85330039

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccn2)cc1)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C23H24Cl2N4O2/c24-21-7-4-18(12-22(21)25)15-28-10-11-31-20(16-28)14-26-23(30)13-17-2-5-19(6-3-17)29-9-1-8-27-29/h1-9,12,20H,10-11,13-16H2,(H,26,30)
InChIKeyJCLKXPDVBZMOEB-UHFFFAOYSA-N
MW459.38 g/mol
LogP3.74
Rot. Bonds7

About N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide

N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 85330039) has the molecular formula C23H24Cl2N4O2 and a molecular weight of 459.38 g/mol. Its IUPAC name is N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID85330039
Molecular FormulaC23H24Cl2N4O2
Molecular Weight459.38 g/mol
Exact Mass458.13
IUPAC NameN-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccn2)cc1)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C23H24Cl2N4O2/c24-21-7-4-18(12-22(21)25)15-28-10-11-31-20(16-28)14-26-23(30)13-17-2-5-19(6-3-17)29-9-1-8-27-29/h1-9,12,20H,10-11,13-16H2,(H,26,30)
InChIKeyJCLKXPDVBZMOEB-UHFFFAOYSA-N
XLogP3.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide (CID 85330039) is N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide is O=C(Cc1ccc(-n2cccn2)cc1)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1.
What is the InChIKey of N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is JCLKXPDVBZMOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O2/c24-21-7-4-18(12-22(21)25)15-28-10-11-31-20(16-28)14-26-23(30)13-17-2-5-19(6-3-17)29-9-1-8-27-29/h1-9,12,20H,10-11,13-16H2,(H,26,30).
What are the key properties of N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 459.38 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 85330039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.