2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide

C17H24N3O4P — CID 139016394

IUPAC2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCCOP(=O)(CC(=O)Nc1ccnn1Cc1cccc(C)c1)OCC
InChIInChI=1S/C17H24N3O4P/c1-4-23-25(22,24-5-2)13-17(21)19-16-9-10-18-20(16)12-15-8-6-7-14(3)11-15/h6-11H,4-5,12-13H2,1-3H3,(H,19,21)
InChIKeyACDNKZGJNOQXLN-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.44
Rot. Bonds9

About 2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide

2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 139016394) has the molecular formula C17H24N3O4P and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID139016394
Molecular FormulaC17H24N3O4P
Molecular Weight365.37 g/mol
Exact Mass365.15
IUPAC Name2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCCOP(=O)(CC(=O)Nc1ccnn1Cc1cccc(C)c1)OCC
InChIInChI=1S/C17H24N3O4P/c1-4-23-25(22,24-5-2)13-17(21)19-16-9-10-18-20(16)12-15-8-6-7-14(3)11-15/h6-11H,4-5,12-13H2,1-3H3,(H,19,21)
InChIKeyACDNKZGJNOQXLN-UHFFFAOYSA-N
XLogP3.44
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide
CID 55687689
2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 55868588
1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119906680
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 55776337
2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 60507720
N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78862542
6-(N-methylanilino)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 112830892
2-(2-methylmorpholin-4-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 60507844
2-[cyclopropyl-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]amino]propanoic acid
CID 122100452
N'-[1-(furan-2-yl)-3-methoxypropyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]oxamide
CID 166205830
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 55609627
N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
CID 7492056

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide (CID 139016394) is 2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide is CCOP(=O)(CC(=O)Nc1ccnn1Cc1cccc(C)c1)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is ACDNKZGJNOQXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N3O4P/c1-4-23-25(22,24-5-2)13-17(21)19-16-9-10-18-20(16)12-15-8-6-7-14(3)11-15/h6-11H,4-5,12-13H2,1-3H3,(H,19,21).
What are the key properties of 2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide?
2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 365.37 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 139016394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).