ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate

C26H21FN4O4 — CID 2174546

IUPACethyl 2-[[5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C26H21FN4O4/c1-2-35-26(34)20-10-6-7-11-22(20)29-25(33)21-16-28-31(19-8-4-3-5-9-19)23(21)30-24(32)17-12-14-18(27)15-13-17/h3-16H,2H2,1H3,(H,29,33)(H,30,32)
InChIKeyGUWYKSOLENAWNY-UHFFFAOYSA-N
MW472.48 g/mol
LogP4.69
Rot. Bonds7

About ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate

ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate (PubChem CID 2174546) has the molecular formula C26H21FN4O4 and a molecular weight of 472.48 g/mol. Its IUPAC name is ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate
PubChem CID2174546
Molecular FormulaC26H21FN4O4
Molecular Weight472.48 g/mol
Exact Mass472.15
IUPAC Nameethyl 2-[[5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C26H21FN4O4/c1-2-35-26(34)20-10-6-7-11-22(20)29-25(33)21-16-28-31(19-8-4-3-5-9-19)23(21)30-24(32)17-12-14-18(27)15-13-17/h3-16H,2H2,1H3,(H,29,33)(H,30,32)
InChIKeyGUWYKSOLENAWNY-UHFFFAOYSA-N
XLogP4.69
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.48
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

ethyl 5-oxo-1H,5H-pyrazolo(1,5-a)quinazoline-3-carboxylate
CID 135407994
Ethyl 1-(2-hydroxy-2-phenylethyl)-5-(phenylcarbamoylamino)pyrazole-4-carboxylate
CID 16747858
Methyl 3-fluoro-4-[[4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidin-1-yl]methyl]benzoate
CID 162667031
2-[2-(4-Oxo-1-phenyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetylamino]-benzoic acid methyl ester
CID 650943
ethyl 5-[(2-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxylate
CID 872379
ethyl 5-amino-1-[4-(ethoxycarbonyl)phenyl]-1H-pyrazole-4-carboxylate
CID 975290
Ethyl 3-[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-amido]benzoate
CID 16012238
Ethyl 1-{4-[(3-acetylphenyl)carbamoyl]phenyl}-5-amino-1H-pyrazole-4-carboxylate
CID 16033204
Methyl 1-{4-[(4-acetylphenyl)carbamoyl]phenyl}-5-amino-1H-pyrazole-4-carboxylate
CID 16033224
2-(2-Hydroxyethylamino)benzoic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester
CID 16280630
Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16747981
Ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16749449

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate (CID 2174546) is ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The InChIKey is GUWYKSOLENAWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O4/c1-2-35-26(34)20-10-6-7-11-22(20)29-25(33)21-16-28-31(19-8-4-3-5-9-19)23(21)30-24(32)17-12-14-18(27)15-13-17/h3-16H,2H2,1H3,(H,29,33)(H,30,32).
What are the key properties of ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate?
ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate has a molecular weight of 472.48 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 2174546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).