propyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate

C23H26N4O5S — CID 108802167

IUPACpropyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cnn(C)c2N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H26N4O5S/c1-5-14-32-23(29)17-8-10-18(11-9-17)25-21(28)20-15-24-26(3)22(20)27(4)33(30,31)19-12-6-16(2)7-13-19/h6-13,15H,5,14H2,1-4H3,(H,25,28)
InChIKeyQLDCNPMMMIFUDN-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.37
Rot. Bonds8

About propyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate

propyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate (PubChem CID 108802167) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is propyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate
PubChem CID108802167
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Namepropyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cnn(C)c2N(C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H26N4O5S/c1-5-14-32-23(29)17-8-10-18(11-9-17)25-21(28)20-15-24-26(3)22(20)27(4)33(30,31)19-12-6-16(2)7-13-19/h6-13,15H,5,14H2,1-4H3,(H,25,28)
InChIKeyQLDCNPMMMIFUDN-UHFFFAOYSA-N
XLogP3.37
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

ethyl 1-methyl-5-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]pyrazole-4-carboxylate
CID 108802199
N-(2-methoxyethyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789220
N-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108802110
N-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108802237
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789276
methyl 2-hydroxy-3-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate
CID 108802252
N-(2,3-dichlorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789206
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108810960
N-(2-chloro-3-pyridinyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789287
2-[4-hydroxy-3-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]phenyl]acetic acid
CID 108802205
N-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789235
N-(3-cyano-4,5-dimethylfuran-2-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108802173

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate?
The IUPAC name of propyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate (CID 108802167) is propyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate?
The canonical SMILES for propyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2cnn(C)c2N(C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of propyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate?
The InChIKey is QLDCNPMMMIFUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-5-14-32-23(29)17-8-10-18(11-9-17)25-21(28)20-15-24-26(3)22(20)27(4)33(30,31)19-12-6-16(2)7-13-19/h6-13,15H,5,14H2,1-4H3,(H,25,28).
What are the key properties of propyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate?
propyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate has a molecular weight of 470.55 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 108802167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).