ethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate

C24H20N4O3 — CID 1287871

IUPACethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C24H20N4O3/c1-2-31-24(30)18-8-10-19(11-9-18)26-23(29)21-16-28(20-6-4-3-5-7-20)27-22(21)17-12-14-25-15-13-17/h3-16H,2H2,1H3,(H,26,29)
InChIKeyDQPDYAODTBSTNJ-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.36
Rot. Bonds6

About ethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate

ethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate (PubChem CID 1287871) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is ethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate
PubChem CID1287871
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Nameethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C24H20N4O3/c1-2-31-24(30)18-8-10-19(11-9-18)26-23(29)21-16-28(20-6-4-3-5-7-20)27-22(21)17-12-14-25-15-13-17/h3-16H,2H2,1H3,(H,26,29)
InChIKeyDQPDYAODTBSTNJ-UHFFFAOYSA-N
XLogP4.36
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate (CID 1287871) is ethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)cc1.
What is the InChIKey of ethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate?
The InChIKey is DQPDYAODTBSTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-2-31-24(30)18-8-10-19(11-9-18)26-23(29)21-16-28(20-6-4-3-5-7-20)27-22(21)17-12-14-25-15-13-17/h3-16H,2H2,1H3,(H,26,29).
What are the key properties of ethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate?
ethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate has a molecular weight of 412.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 1287871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).