4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one

C19H22N3O4P — CID 659555

IUPAC4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCOc1ccccc1OP(C)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H22N3O4P/c1-14-18(19(23)22(21(14)2)15-10-6-5-7-11-15)20-27(4,24)26-17-13-9-8-12-16(17)25-3/h5-13H,1-4H3,(H,20,24)
InChIKeyYCWXMFMYEWLQAY-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.81
Rot. Bonds6

About 4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 659555) has the molecular formula C19H22N3O4P and a molecular weight of 387.38 g/mol. Its IUPAC name is 4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID659555
Molecular FormulaC19H22N3O4P
Molecular Weight387.38 g/mol
Exact Mass387.13
IUPAC Name4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCOc1ccccc1OP(C)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H22N3O4P/c1-14-18(19(23)22(21(14)2)15-10-6-5-7-11-15)20-27(4,24)26-17-13-9-8-12-16(17)25-3/h5-13H,1-4H3,(H,20,24)
InChIKeyYCWXMFMYEWLQAY-UHFFFAOYSA-N
XLogP3.81
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one 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

1,5-dimethyl-4-[[methyl-(4-propan-2-ylphenoxy)phosphoryl]amino]-2-phenylpyrazol-3-one
CID 11898095
1,5-dimethyl-4-[[phenoxy(phenyl)phosphoryl]amino]-2-phenylpyrazol-3-one
CID 11862870
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methoxyphenoxy)propanamide
CID 1283770
4-(5-fluoro-2-methoxyanilino)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 110452741
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,4,5-trimethoxybenzamide
CID 981598
CID 175754430
CID 175754430
4-(dinaphthalen-1-ylphosphorylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 2326936
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzenesulfonamide
CID 163349923
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethoxy-3-methoxybenzamide
CID 26499954
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-methoxyphenyl)methylamino]propanamide
CID 71902660
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 22430421

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 659555) is 4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one is COc1ccccc1OP(C)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is YCWXMFMYEWLQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N3O4P/c1-14-18(19(23)22(21(14)2)15-10-6-5-7-11-15)20-27(4,24)26-17-13-9-8-12-16(17)25-3/h5-13H,1-4H3,(H,20,24).
What are the key properties of 4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 387.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxyphenoxy)-methylphosphoryl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 659555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).