[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate;methyl N-propan-2-ylcarbamate;oxolane

C33H51N6O10P — CID 169141015

About [5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate;methyl N-propan-2-ylcarbamate;oxolane

[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate;methyl N-propan-2-ylcarbamate;oxolane (PubChem CID 169141015) has the molecular formula C33H51N6O10P and a molecular weight of 722.78 g/mol. Its IUPAC name is [5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate;methyl N-propan-2-ylcarbamate;oxolane.

Molecular Properties

• Compound Name: [5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate;methyl N-propan-2-ylcarbamate;oxolane
• PubChem CID: 169141015
• Molecular Formula: C33H51N6O10P
• Molecular Weight: 722.78 g/mol
• Exact Mass: 722.34
• IUPAC Name: [5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate;methyl N-propan-2-ylcarbamate;oxolane
• SMILES: C1CCOC1.COC(=O)NC(C)C.COCc1cc(C(=O)Nc2ccnn2COC(=O)CC(C)(C)c2c(C)cc(C)cc2OP(O)O)n(C)n1
• InChI: InChI=1S/C24H32N5O7P.C5H11NO2.C4H8O/c1-15-9-16(2)22(19(10-15)36-37(32)33)24(3,4)12-21(30)35-14-29-20(7-8-25-29)26-23(31)18-11-17(13-34-6)27-28(18)5;1-4(2)6-5(7)8-3;1-2-4-5-3-1/h7-11,32-33H,12-14H2,1-6H3,(H,26,31);4H,1-3H3,(H,6,7);1-4H2
• InChIKey: GAYMKGVIJIZSAZ-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 197.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.78
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate;methyl N-propan-2-ylcarbamate;oxolane?

The IUPAC name of [5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate;methyl N-propan-2-ylcarbamate;oxolane (CID 169141015) is [5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate;methyl N-propan-2-ylcarbamate;oxolane.

What is the SMILES notation for [5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate;methyl N-propan-2-ylcarbamate;oxolane?

The canonical SMILES for [5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate;methyl N-propan-2-ylcarbamate;oxolane is C1CCOC1.COC(=O)NC(C)C.COCc1cc(C(=O)Nc2ccnn2COC(=O)CC(C)(C)c2c(C)cc(C)cc2OP(O)O)n(C)n1.

What is the InChIKey of [5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate;methyl N-propan-2-ylcarbamate;oxolane?

The InChIKey is GAYMKGVIJIZSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N5O7P.C5H11NO2.C4H8O/c1-15-9-16(2)22(19(10-15)36-37(32)33)24(3,4)12-21(30)35-14-29-20(7-8-25-29)26-23(31)18-11-17(13-34-6)27-28(18)5;1-4(2)6-5(7)8-3;1-2-4-5-3-1/h7-11,32-33H,12-14H2,1-6H3,(H,26,31);4H,1-3H3,(H,6,7);1-4H2.

What are the key properties of [5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate;methyl N-propan-2-ylcarbamate;oxolane?

[5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate;methyl N-propan-2-ylcarbamate;oxolane has a molecular weight of 722.78 g/mol, XLogP of 4.64, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-1-yl]methyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate;methyl N-propan-2-ylcarbamate;oxolane is sourced from PubChem (CID 169141015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).