methyl 5-[(2E)-2-[5-imino-1-[4-[(4E)-5-imino-3-methyl-4-[(4-oxaldehydoyl-1-phenylpyrazol-5-yl)hydrazinylidene]pyrazol-1-yl]-6-methoxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-ylidene]hydrazinyl]-1-phenylpyrazole-4-carboxylate

C34H29N17O5 — CID 135265980

About methyl 5-[(2E)-2-[5-imino-1-[4-[(4E)-5-imino-3-methyl-4-[(4-oxaldehydoyl-1-phenylpyrazol-5-yl)hydrazinylidene]pyrazol-1-yl]-6-methoxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-ylidene]hydrazinyl]-1-phenylpyrazole-4-carboxylate

methyl 5-[(2E)-2-[5-imino-1-[4-[(4E)-5-imino-3-methyl-4-[(4-oxaldehydoyl-1-phenylpyrazol-5-yl)hydrazinylidene]pyrazol-1-yl]-6-methoxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-ylidene]hydrazinyl]-1-phenylpyrazole-4-carboxylate (PubChem CID 135265980) has the molecular formula C34H29N17O5 and a molecular weight of 755.72 g/mol. Its IUPAC name is methyl 5-[(2E)-2-[5-imino-1-[4-[(4E)-5-imino-3-methyl-4-[(4-oxaldehydoyl-1-phenylpyrazol-5-yl)hydrazinylidene]pyrazol-1-yl]-6-methoxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-ylidene]hydrazinyl]-1-phenylpyrazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[(2E)-2-[5-imino-1-[4-[(4E)-5-imino-3-methyl-4-[(4-oxaldehydoyl-1-phenylpyrazol-5-yl)hydrazinylidene]pyrazol-1-yl]-6-methoxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-ylidene]hydrazinyl]-1-phenylpyrazole-4-carboxylate
• PubChem CID: 135265980
• Molecular Formula: C34H29N17O5
• Molecular Weight: 755.72 g/mol
• Exact Mass: 755.25
• IUPAC Name: methyl 5-[(2E)-2-[5-imino-1-[4-[(4E)-5-imino-3-methyl-4-[(4-oxaldehydoyl-1-phenylpyrazol-5-yl)hydrazinylidene]pyrazol-1-yl]-6-methoxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-ylidene]hydrazinyl]-1-phenylpyrazole-4-carboxylate
• SMILES: [H]/N=C1C(=N\Nc2c(C(=O)C=O)cnn2-c2ccccc2)\C(C)=NN\1c1nc(OC)nc(N2N=C(C)C(=N\Nc3c(C(=O)OC)cnn3-c3ccccc3)/C2=N\[H])n1
• InChI: InChI=1S/C34H29N17O5/c1-18-25(42-44-29-22(24(53)17-52)15-37-48(29)20-11-7-5-8-12-20)27(35)50(46-18)32-39-33(41-34(40-32)56-4)51-28(36)26(19(2)47-51)43-45-30-23(31(54)55-3)16-38-49(30)21-13-9-6-10-14-21/h5-17,35-36,44-45H,1-4H3/b35-27+,36-28+,42-25+,43-26+
• InChIKey: NWLOQTFVIYJSIP-KRNVLJJISA-N
• XLogP: 2.70
• TPSA: 271.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.72
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2E)-2-[5-imino-1-[4-[(4E)-5-imino-3-methyl-4-[(4-oxaldehydoyl-1-phenylpyrazol-5-yl)hydrazinylidene]pyrazol-1-yl]-6-methoxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-ylidene]hydrazinyl]-1-phenylpyrazole-4-carboxylate?

The IUPAC name of methyl 5-[(2E)-2-[5-imino-1-[4-[(4E)-5-imino-3-methyl-4-[(4-oxaldehydoyl-1-phenylpyrazol-5-yl)hydrazinylidene]pyrazol-1-yl]-6-methoxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-ylidene]hydrazinyl]-1-phenylpyrazole-4-carboxylate (CID 135265980) is methyl 5-[(2E)-2-[5-imino-1-[4-[(4E)-5-imino-3-methyl-4-[(4-oxaldehydoyl-1-phenylpyrazol-5-yl)hydrazinylidene]pyrazol-1-yl]-6-methoxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-ylidene]hydrazinyl]-1-phenylpyrazole-4-carboxylate.

What is the SMILES notation for methyl 5-[(2E)-2-[5-imino-1-[4-[(4E)-5-imino-3-methyl-4-[(4-oxaldehydoyl-1-phenylpyrazol-5-yl)hydrazinylidene]pyrazol-1-yl]-6-methoxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-ylidene]hydrazinyl]-1-phenylpyrazole-4-carboxylate?

The canonical SMILES for methyl 5-[(2E)-2-[5-imino-1-[4-[(4E)-5-imino-3-methyl-4-[(4-oxaldehydoyl-1-phenylpyrazol-5-yl)hydrazinylidene]pyrazol-1-yl]-6-methoxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-ylidene]hydrazinyl]-1-phenylpyrazole-4-carboxylate is [H]/N=C1C(=N\Nc2c(C(=O)C=O)cnn2-c2ccccc2)\C(C)=NN\1c1nc(OC)nc(N2N=C(C)C(=N\Nc3c(C(=O)OC)cnn3-c3ccccc3)/C2=N\[H])n1.

What is the InChIKey of methyl 5-[(2E)-2-[5-imino-1-[4-[(4E)-5-imino-3-methyl-4-[(4-oxaldehydoyl-1-phenylpyrazol-5-yl)hydrazinylidene]pyrazol-1-yl]-6-methoxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-ylidene]hydrazinyl]-1-phenylpyrazole-4-carboxylate?

The InChIKey is NWLOQTFVIYJSIP-KRNVLJJISA-N. The full InChI is InChI=1S/C34H29N17O5/c1-18-25(42-44-29-22(24(53)17-52)15-37-48(29)20-11-7-5-8-12-20)27(35)50(46-18)32-39-33(41-34(40-32)56-4)51-28(36)26(19(2)47-51)43-45-30-23(31(54)55-3)16-38-49(30)21-13-9-6-10-14-21/h5-17,35-36,44-45H,1-4H3/b35-27+,36-28+,42-25+,43-26+.

What are the key properties of methyl 5-[(2E)-2-[5-imino-1-[4-[(4E)-5-imino-3-methyl-4-[(4-oxaldehydoyl-1-phenylpyrazol-5-yl)hydrazinylidene]pyrazol-1-yl]-6-methoxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-ylidene]hydrazinyl]-1-phenylpyrazole-4-carboxylate?

methyl 5-[(2E)-2-[5-imino-1-[4-[(4E)-5-imino-3-methyl-4-[(4-oxaldehydoyl-1-phenylpyrazol-5-yl)hydrazinylidene]pyrazol-1-yl]-6-methoxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-ylidene]hydrazinyl]-1-phenylpyrazole-4-carboxylate has a molecular weight of 755.72 g/mol, XLogP of 2.70, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[(2E)-2-[5-imino-1-[4-[(4E)-5-imino-3-methyl-4-[(4-oxaldehydoyl-1-phenylpyrazol-5-yl)hydrazinylidene]pyrazol-1-yl]-6-methoxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-ylidene]hydrazinyl]-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 135265980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).