N-[4-[2-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]phenyl]acetamide

C22H25ClN4O — CID 119114954

IUPACN-[4-[2-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNCc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1
InChIInChI=1S/C22H25ClN4O/c1-15-22(16(2)27(26-15)21-10-6-19(23)7-11-21)14-24-13-12-18-4-8-20(9-5-18)25-17(3)28/h4-11,24H,12-14H2,1-3H3,(H,25,28)
InChIKeyJAMUYNFBNXJTEZ-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.43
Rot. Bonds7

About N-[4-[2-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]phenyl]acetamide

N-[4-[2-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]phenyl]acetamide (PubChem CID 119114954) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[4-[2-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]phenyl]acetamide
PubChem CID119114954
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC NameN-[4-[2-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNCc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1
InChIInChI=1S/C22H25ClN4O/c1-15-22(16(2)27(26-15)21-10-6-19(23)7-11-21)14-24-13-12-18-4-8-20(9-5-18)25-17(3)28/h4-11,24H,12-14H2,1-3H3,(H,25,28)
InChIKeyJAMUYNFBNXJTEZ-UHFFFAOYSA-N
XLogP4.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide;oxalic acid
CID 17410122
3-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 86344671
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethylphenyl)acetamide
CID 109002843
2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide
CID 60647462
3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 16796125
2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide
CID 109002904
N-[(4-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 40722802
2-[2-(4-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109002847
1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 154741292
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78884828
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]phenyl]acetamide (CID 119114954) is N-[4-[2-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CCNCc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1.
What is the InChIKey of N-[4-[2-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]phenyl]acetamide?
The InChIKey is JAMUYNFBNXJTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-15-22(16(2)27(26-15)21-10-6-19(23)7-11-21)14-24-13-12-18-4-8-20(9-5-18)25-17(3)28/h4-11,24H,12-14H2,1-3H3,(H,25,28).
What are the key properties of N-[4-[2-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]phenyl]acetamide?
N-[4-[2-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]phenyl]acetamide has a molecular weight of 396.92 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 119114954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).