methyl 5-[[1-[4-methoxy-6-[4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3,5-dimethylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3,5-dimethylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate

C26H29N15O5 — CID 91196682

IUPACmethyl 5-[[1-[4-methoxy-6-[4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3,5-dimethylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3,5-dimethylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2nc(OC)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3C)n2)c1C
InChIInChI=1S/C26H29N15O5/c1-12-18(32-34-20-16(22(42)44-7)10-27-38(20)5)14(3)40(36-12)24-29-25(31-26(30-24)46-9)41-15(4)19(13(2)37-41)33-35-21-17(23(43)45-8)11-28-39(21)6/h10-11H,1-9H3/b34-32+,35-33+
InChIKeyPKMXTIWLKMXNER-XUXOKTBYSA-N
MW631.62 g/mol
LogP3.36
Rot. Bonds9

About methyl 5-[[1-[4-methoxy-6-[4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3,5-dimethylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3,5-dimethylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate

methyl 5-[[1-[4-methoxy-6-[4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3,5-dimethylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3,5-dimethylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate (PubChem CID 91196682) has the molecular formula C26H29N15O5 and a molecular weight of 631.62 g/mol. Its IUPAC name is methyl 5-[[1-[4-methoxy-6-[4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3,5-dimethylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3,5-dimethylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-[4-methoxy-6-[4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3,5-dimethylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3,5-dimethylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate
PubChem CID91196682
Molecular FormulaC26H29N15O5
Molecular Weight631.62 g/mol
Exact Mass631.25
IUPAC Namemethyl 5-[[1-[4-methoxy-6-[4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3,5-dimethylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3,5-dimethylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2nc(OC)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3C)n2)c1C
InChIInChI=1S/C26H29N15O5/c1-12-18(32-34-20-16(22(42)44-7)10-27-38(20)5)14(3)40(36-12)24-29-25(31-26(30-24)46-9)41-15(4)19(13(2)37-41)33-35-21-17(23(43)45-8)11-28-39(21)6/h10-11H,1-9H3/b34-32+,35-33+
InChIKeyPKMXTIWLKMXNER-XUXOKTBYSA-N
XLogP3.36
TPSA221.22 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.62
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze methyl 5-[[1-[4-methoxy-6-[4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3,5-dimethylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3,5-dimethylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-[4-methoxy-6-[4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3,5-dimethylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3,5-dimethylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-[[1-[4-methoxy-6-[4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3,5-dimethylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3,5-dimethylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate (CID 91196682) is methyl 5-[[1-[4-methoxy-6-[4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3,5-dimethylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3,5-dimethylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-[[1-[4-methoxy-6-[4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3,5-dimethylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3,5-dimethylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-[[1-[4-methoxy-6-[4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3,5-dimethylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3,5-dimethylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate is COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2nc(OC)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3C)n2)c1C.
What is the InChIKey of methyl 5-[[1-[4-methoxy-6-[4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3,5-dimethylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3,5-dimethylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is PKMXTIWLKMXNER-XUXOKTBYSA-N. The full InChI is InChI=1S/C26H29N15O5/c1-12-18(32-34-20-16(22(42)44-7)10-27-38(20)5)14(3)40(36-12)24-29-25(31-26(30-24)46-9)41-15(4)19(13(2)37-41)33-35-21-17(23(43)45-8)11-28-39(21)6/h10-11H,1-9H3/b34-32+,35-33+.
What are the key properties of methyl 5-[[1-[4-methoxy-6-[4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3,5-dimethylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3,5-dimethylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate?
methyl 5-[[1-[4-methoxy-6-[4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3,5-dimethylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3,5-dimethylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 631.62 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-[4-methoxy-6-[4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3,5-dimethylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3,5-dimethylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 91196682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).