[2-(3-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate

C24H19FN4O5 — CID 166203391

IUPAC[2-(3-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)COC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)c1
InChIInChI=1S/C24H19FN4O5/c1-33-23(31)16-5-4-6-18(13-16)27-21(30)15-34-24(32)20-14-26-29(19-9-7-17(25)8-10-19)22(20)28-11-2-3-12-28/h2-14H,15H2,1H3,(H,27,30)
InChIKeyIFXYREIETMQOLU-UHFFFAOYSA-N
MW462.44 g/mol
LogP3.38
Rot. Bonds7

About [2-(3-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate

[2-(3-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate (PubChem CID 166203391) has the molecular formula C24H19FN4O5 and a molecular weight of 462.44 g/mol. Its IUPAC name is [2-(3-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(3-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate
PubChem CID166203391
Molecular FormulaC24H19FN4O5
Molecular Weight462.44 g/mol
Exact Mass462.13
IUPAC Name[2-(3-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)COC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)c1
InChIInChI=1S/C24H19FN4O5/c1-33-23(31)16-5-4-6-18(13-16)27-21(30)15-34-24(32)20-14-26-29(19-9-7-17(25)8-10-19)22(20)28-11-2-3-12-28/h2-14H,15H2,1H3,(H,27,30)
InChIKeyIFXYREIETMQOLU-UHFFFAOYSA-N
XLogP3.38
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(3-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate 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

3-[[2-(3,5-Dimethylpyrazol-1-yl)-5-ethoxycarbonylpyrimidin-4-yl]amino]benzoic acid
CID 662434
ethyl 5-{2-[2-(4-fluoroanilino)-2-oxoacetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate
CID 2767887
ethyl 5-(2-{2-oxo-2-[2-(trifluoromethyl)anilino]acetyl}-1H-pyrrol-1-yl)-1-phenyl-1H-pyrazole-4-carboxylate
CID 2767890
Ethyl 3-[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-amido]benzoate
CID 16012238
[2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 2082046
Methyl 2-[[1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carbonyl]amino]benzoate
CID 16021971
Ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-amido]benzoate
CID 16021977
ethyl 2-(2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamido)benzoate
CID 3242320
Methyl 2-[1-(4-fluorophenyl)-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-amido]benzoate
CID 16021846
Methyl 2-[3-methyl-1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-amido]benzoate
CID 6623546
methyl 2-[({5-[(2-fluorobenzoyl)amino]-1-phenyl-1H-pyrazol-4-yl}carbonyl)amino]benzoate
CID 1283052
ethyl 2-[({5-[(4-fluorobenzoyl)amino]-1-phenyl-1H-pyrazol-4-yl}carbonyl)amino]benzoate
CID 2174546

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate?
The IUPAC name of [2-(3-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate (CID 166203391) is [2-(3-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate.
What is the SMILES notation for [2-(3-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate?
The canonical SMILES for [2-(3-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate is COC(=O)c1cccc(NC(=O)COC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)c1.
What is the InChIKey of [2-(3-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate?
The InChIKey is IFXYREIETMQOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O5/c1-33-23(31)16-5-4-6-18(13-16)27-21(30)15-34-24(32)20-14-26-29(19-9-7-17(25)8-10-19)22(20)28-11-2-3-12-28/h2-14H,15H2,1H3,(H,27,30).
What are the key properties of [2-(3-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate?
[2-(3-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate has a molecular weight of 462.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate is sourced from PubChem (CID 166203391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).