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

C23H18N4O3 — CID 2140163

IUPACmethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C23H18N4O3/c1-30-23(29)17-7-9-18(10-8-17)25-22(28)20-15-27(19-5-3-2-4-6-19)26-21(20)16-11-13-24-14-12-16/h2-15H,1H3,(H,25,28)
InChIKeyGAMGAUOEAAYTOE-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.97
Rot. Bonds5

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

methyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate (PubChem CID 2140163) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is methyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate
PubChem CID2140163
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Namemethyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C23H18N4O3/c1-30-23(29)17-7-9-18(10-8-17)25-22(28)20-15-27(19-5-3-2-4-6-19)26-21(20)16-11-13-24-14-12-16/h2-15H,1H3,(H,25,28)
InChIKeyGAMGAUOEAAYTOE-UHFFFAOYSA-N
XLogP3.97
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate (CID 2140163) is methyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)cc1.
What is the InChIKey of methyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate?
The InChIKey is GAMGAUOEAAYTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-30-23(29)17-7-9-18(10-8-17)25-22(28)20-15-27(19-5-3-2-4-6-19)26-21(20)16-11-13-24-14-12-16/h2-15H,1H3,(H,25,28).
What are the key properties of methyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate?
methyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate has a molecular weight of 398.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 2140163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).