ethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate

C20H20N4O3 — CID 165368602

IUPACethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N(C)c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H20N4O3/c1-3-27-19(25)15-5-7-16(8-6-15)22-20(26)23(2)17-9-11-18(12-10-17)24-14-4-13-21-24/h4-14H,3H2,1-2H3,(H,22,26)
InChIKeyQSAHWTWKGHQZQU-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.72
Rot. Bonds5

About ethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate

ethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate (PubChem CID 165368602) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is ethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate
PubChem CID165368602
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Nameethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N(C)c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H20N4O3/c1-3-27-19(25)15-5-7-16(8-6-15)22-20(26)23(2)17-9-11-18(12-10-17)24-14-4-13-21-24/h4-14H,3H2,1-2H3,(H,22,26)
InChIKeyQSAHWTWKGHQZQU-UHFFFAOYSA-N
XLogP3.72
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-aminohydroxylamine;ethyl 4-pyrazol-1-ylbenzoate;4-pyrazol-1-ylbenzohydrazide
CID 157086437
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
CID 17497737
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate
CID 16559005
ethyl 4-[[4-(dimethylamino)phenyl]carbamoylamino]benzoate
CID 108894702
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate
CID 55367090
ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate
CID 90517480
ethyl 4-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]benzoate
CID 109010353
(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 61180755
ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate
CID 155434676
3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35275378
2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
[2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 4-pyrazol-1-ylbenzoate
CID 9474013

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate (CID 165368602) is ethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)N(C)c2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of ethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate?
The InChIKey is QSAHWTWKGHQZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-27-19(25)15-5-7-16(8-6-15)22-20(26)23(2)17-9-11-18(12-10-17)24-14-4-13-21-24/h4-14H,3H2,1-2H3,(H,22,26).
What are the key properties of ethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate?
ethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate has a molecular weight of 364.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate is sourced from PubChem (CID 165368602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).