[5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate

C32H26N16O3 — CID 58113687

IUPAC[5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCC1=Nn2nc(C)c(/N=N/c3c(C(=O)OC(=O)c4cnn(-c5ccccn5)c4/N=N/c4c(C)nn5c4CC(C)=N5)cnn3-c3ccccn3)c2C1
InChIInChI=1S/C32H26N16O3/c1-17-13-23-27(19(3)43-47(23)41-17)37-39-29-21(15-35-45(29)25-9-5-7-11-33-25)31(49)51-32(50)22-16-36-46(26-10-6-8-12-34-26)30(22)40-38-28-20(4)44-48-24(28)14-18(2)42-48/h5-12,15-16H,13-14H2,1-4H3/b39-37+,40-38+
InChIKeyWOHUCUDONVTYNO-HVMBLDELSA-N
MW682.67 g/mol
LogP5.25
Rot. Bonds8

About [5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate

[5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 58113687) has the molecular formula C32H26N16O3 and a molecular weight of 682.67 g/mol. Its IUPAC name is [5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID58113687
Molecular FormulaC32H26N16O3
Molecular Weight682.67 g/mol
Exact Mass682.24
IUPAC Name[5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCC1=Nn2nc(C)c(/N=N/c3c(C(=O)OC(=O)c4cnn(-c5ccccn5)c4/N=N/c4c(C)nn5c4CC(C)=N5)cnn3-c3ccccn3)c2C1
InChIInChI=1S/C32H26N16O3/c1-17-13-23-27(19(3)43-47(23)41-17)37-39-29-21(15-35-45(29)25-9-5-7-11-33-25)31(49)51-32(50)22-16-36-46(26-10-6-8-12-34-26)30(22)40-38-28-20(4)44-48-24(28)14-18(2)42-48/h5-12,15-16H,13-14H2,1-4H3/b39-37+,40-38+
InChIKeyWOHUCUDONVTYNO-HVMBLDELSA-N
XLogP5.25
TPSA214.59 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500682.67
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze [5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate
CID 135983869
methyl 5-[[5-amino-1-[4-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-[5-amino-4-[(4-methoxycarbonyl-1-methylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-1-[6-[5-[(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)diazenyl]-4-(2-hydroxyacetyl)pyrazol-1-yl]pyrimidin-4-yl]pyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-methylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;methyl 5-[(5-amino-3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 159347431
[5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,6-dimethyl-4H-imidazo[5,1-e]pyrazol-3-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate;5-[[2-[4-[3-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-4H-imidazo[1,5-b]pyrazol-2-yl]phenyl]-6-methyl-4H-imidazo[1,5-b]pyrazol-3-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[3-[6-[7-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-6-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]pyridazin-3-yl]-6-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile
CID 157348103
ethyl 5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate
CID 135983883
5-[(4-carbamoyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 58106168
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
1-butyl-5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;copper;propyl 5-[(1-butyl-2-hydroxy-5-isocyano-4-methyl-6-oxo-3-pyridinyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate
CID 135983877
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125
(3,5-dimethylpyrazol-1-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 15944096
2-[[2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]amino]acetic acid
CID 108793421

Frequently Asked Questions

What is the IUPAC name of [5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of [5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate (CID 58113687) is [5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for [5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for [5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate is CC1=Nn2nc(C)c(/N=N/c3c(C(=O)OC(=O)c4cnn(-c5ccccn5)c4/N=N/c4c(C)nn5c4CC(C)=N5)cnn3-c3ccccn3)c2C1.
What is the InChIKey of [5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is WOHUCUDONVTYNO-HVMBLDELSA-N. The full InChI is InChI=1S/C32H26N16O3/c1-17-13-23-27(19(3)43-47(23)41-17)37-39-29-21(15-35-45(29)25-9-5-7-11-33-25)31(49)51-32(50)22-16-36-46(26-10-6-8-12-34-26)30(22)40-38-28-20(4)44-48-24(28)14-18(2)42-48/h5-12,15-16H,13-14H2,1-4H3/b39-37+,40-38+.
What are the key properties of [5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate?
[5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 682.67 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 58113687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).