methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-hydroxycarbamate;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate;methyl(tritio)phosphane

C38H39Cl2N6O8P — CID 159909178

About methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-hydroxycarbamate;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate;methyl(tritio)phosphane

methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-hydroxycarbamate;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate;methyl(tritio)phosphane (PubChem CID 159909178) has the molecular formula C38H39Cl2N6O8P and a molecular weight of 811.65 g/mol. Its IUPAC name is methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-hydroxycarbamate;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate;methyl(tritio)phosphane.

Molecular Properties

• Compound Name: methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-hydroxycarbamate;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate;methyl(tritio)phosphane
• PubChem CID: 159909178
• Molecular Formula: C38H39Cl2N6O8P
• Molecular Weight: 811.65 g/mol
• Exact Mass: 810.20
• IUPAC Name: methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-hydroxycarbamate;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate;methyl(tritio)phosphane
• SMILES: COC(=O)N(O)c1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1.COC(=O)N(OC)c1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1.[3H]PC
• InChI: InChI=1S/C19H18ClN3O4.C18H16ClN3O4.CH5P/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16;1-25-18(23)22(24)16-5-3-2-4-13(16)12-26-17-10-11-21(20-17)15-8-6-14(19)7-9-15;1-2/h3-12H,13H2,1-2H3;2-11,24H,12H2,1H3;2H2,1H3/i;;2T
• InChIKey: NWYQHXVGAGPSKD-IRKISQMASA-N
• XLogP: 8.80
• TPSA: 142.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	811.65
LogP ≤ 5	8.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-hydroxycarbamate;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate;methyl(tritio)phosphane?

The IUPAC name of methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-hydroxycarbamate;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate;methyl(tritio)phosphane (CID 159909178) is methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-hydroxycarbamate;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate;methyl(tritio)phosphane.

What is the SMILES notation for methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-hydroxycarbamate;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate;methyl(tritio)phosphane?

The canonical SMILES for methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-hydroxycarbamate;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate;methyl(tritio)phosphane is COC(=O)N(O)c1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1.COC(=O)N(OC)c1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1.[3H]PC.

What is the InChIKey of methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-hydroxycarbamate;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate;methyl(tritio)phosphane?

The InChIKey is NWYQHXVGAGPSKD-IRKISQMASA-N. The full InChI is InChI=1S/C19H18ClN3O4.C18H16ClN3O4.CH5P/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16;1-25-18(23)22(24)16-5-3-2-4-13(16)12-26-17-10-11-21(20-17)15-8-6-14(19)7-9-15;1-2/h3-12H,13H2,1-2H3;2-11,24H,12H2,1H3;2H2,1H3/i;;2T.

What are the key properties of methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-hydroxycarbamate;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate;methyl(tritio)phosphane?

methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-hydroxycarbamate;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate;methyl(tritio)phosphane has a molecular weight of 811.65 g/mol, XLogP of 8.80, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-hydroxycarbamate;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate;methyl(tritio)phosphane is sourced from PubChem (CID 159909178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).