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

C25H19FN4O4 — CID 1283052

IUPACmethyl 2-[[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C25H19FN4O4/c1-34-25(33)18-12-6-8-14-21(18)28-24(32)19-15-27-30(16-9-3-2-4-10-16)22(19)29-23(31)17-11-5-7-13-20(17)26/h2-15H,1H3,(H,28,32)(H,29,31)
InChIKeyCVCLUROFBXARNB-UHFFFAOYSA-N
MW458.45 g/mol
LogP4.30
Rot. Bonds6

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

methyl 2-[[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate (PubChem CID 1283052) has the molecular formula C25H19FN4O4 and a molecular weight of 458.45 g/mol. Its IUPAC name is methyl 2-[[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate
PubChem CID1283052
Molecular FormulaC25H19FN4O4
Molecular Weight458.45 g/mol
Exact Mass458.14
IUPAC Namemethyl 2-[[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C25H19FN4O4/c1-34-25(33)18-12-6-8-14-21(18)28-24(32)19-15-27-30(16-9-3-2-4-10-16)22(19)29-23(31)17-11-5-7-13-20(17)26/h2-15H,1H3,(H,28,32)(H,29,31)
InChIKeyCVCLUROFBXARNB-UHFFFAOYSA-N
XLogP4.30
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-({[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)benzoate
CID 2164709
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
Methyl 2-[[2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetyl]amino]benzoate
CID 16026209
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
5-(2-Fluoro-benzoylamino)-1-phenyl-1H-pyrazole-4-carboxylic acid diethylamide
CID 1350803
Ethyl 3-[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-amido]benzoate
CID 16012238
Methyl 1-{4-[(4-acetylphenyl)carbamoyl]phenyl}-5-amino-1H-pyrazole-4-carboxylate
CID 16033224
Methyl 1-{4-[(3-acetylphenyl)carbamoyl]phenyl}-5-amino-1H-pyrazole-4-carboxylate
CID 16033228
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 methyl 2-[[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate (CID 1283052) is methyl 2-[[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F.
What is the InChIKey of methyl 2-[[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The InChIKey is CVCLUROFBXARNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O4/c1-34-25(33)18-12-6-8-14-21(18)28-24(32)19-15-27-30(16-9-3-2-4-10-16)22(19)29-23(31)17-11-5-7-13-20(17)26/h2-15H,1H3,(H,28,32)(H,29,31).
What are the key properties of methyl 2-[[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate?
methyl 2-[[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate has a molecular weight of 458.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 1283052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).