ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate

C27H25N3O5 — CID 2360935

IUPACethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H25N3O5/c1-4-35-27(32)18-10-13-20(14-11-18)28-26(31)22-17-30(21-8-6-5-7-9-21)29-25(22)19-12-15-23(33-2)24(16-19)34-3/h5-17H,4H2,1-3H3,(H,28,31)
InChIKeyMUPMTIRKAONGKR-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.99
Rot. Bonds8

About ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate

ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate (PubChem CID 2360935) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
PubChem CID2360935
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Nameethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H25N3O5/c1-4-35-27(32)18-10-13-20(14-11-18)28-26(31)22-17-30(21-8-6-5-7-9-21)29-25(22)19-12-15-23(33-2)24(16-19)34-3/h5-17H,4H2,1-3H3,(H,28,31)
InChIKeyMUPMTIRKAONGKR-UHFFFAOYSA-N
XLogP4.99
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

3-(2,3-Dihydro-1,4-benzodioxin-6-YL)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 977138
4-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 1478012
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 882240
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
Ethyl 3-[5-(4-methoxyphenyl)-1-[2-methyl-4-(pyridazin-4-ylcarbamoyl)phenyl]pyrrol-2-yl]propanoate
CID 70693703
3-(4-methoxyphenyl)-N-[(4-methylphenyl)carbamothioyl]-1-phenylpyrazole-4-carboxamide
CID 72707852
2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 141484719
2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide
CID 141484722
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 141484724
ethyl 4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]benzoate
CID 145193917
4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide
CID 145193925
4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-ethylbenzamide
CID 145193964

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate (CID 2360935) is ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The InChIKey is MUPMTIRKAONGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-4-35-27(32)18-10-13-20(14-11-18)28-26(31)22-17-30(21-8-6-5-7-9-21)29-25(22)19-12-15-23(33-2)24(16-19)34-3/h5-17H,4H2,1-3H3,(H,28,31).
What are the key properties of ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate?
ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate has a molecular weight of 471.51 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 2360935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).