N-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide

C24H28N4O2 — CID 46449018

IUPACN-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
SMILESCCN(CC)Cc1cccc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C24H28N4O2/c1-5-27(6-2)16-19-11-10-12-20(15-19)25-24(30)23(29)22-17(3)26-28(18(22)4)21-13-8-7-9-14-21/h7-15H,5-6,16H2,1-4H3,(H,25,30)
InChIKeyXPTMAKPLPLRSQM-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.15
Rot. Bonds8

About N-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide

N-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide (PubChem CID 46449018) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
PubChem CID46449018
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
SMILESCCN(CC)Cc1cccc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C24H28N4O2/c1-5-27(6-2)16-19-11-10-12-20(15-19)25-24(30)23(29)22-17(3)26-28(18(22)4)21-13-8-7-9-14-21/h7-15H,5-6,16H2,1-4H3,(H,25,30)
InChIKeyXPTMAKPLPLRSQM-UHFFFAOYSA-N
XLogP4.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-oxoacetamide
CID 26124459
N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide
CID 26059043
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-(6-phenylmethoxy-3-pyridinyl)acetamide
CID 55879441
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 18227715
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 55855750
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 27760714
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 34333616
3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]-5-fluoro-4-methylbenzamide
CID 55784945
N-[5-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]-2-fluorophenyl]prop-2-enamide
CID 139005653
N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 38748212
N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 51273944
5-chloro-3-methyl-N-[3-(methylsulfonylmethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 60605483

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
The IUPAC name of N-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide (CID 46449018) is N-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide.
What is the SMILES notation for N-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
The canonical SMILES for N-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide is CCN(CC)Cc1cccc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c1.
What is the InChIKey of N-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
The InChIKey is XPTMAKPLPLRSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-5-27(6-2)16-19-11-10-12-20(15-19)25-24(30)23(29)22-17(3)26-28(18(22)4)21-13-8-7-9-14-21/h7-15H,5-6,16H2,1-4H3,(H,25,30).
What are the key properties of N-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
N-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide has a molecular weight of 404.51 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide is sourced from PubChem (CID 46449018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).