ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate

C25H21N3O3 — CID 1355724

IUPACethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C25H21N3O3/c1-2-31-25(30)19-13-15-20(16-14-19)26-24(29)22-17-28(21-11-7-4-8-12-21)27-23(22)18-9-5-3-6-10-18/h3-17H,2H2,1H3,(H,26,29)
InChIKeyPSRIIEFYPRFVAL-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.97
Rot. Bonds6

About ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate

ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate (PubChem CID 1355724) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate
PubChem CID1355724
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Nameethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C25H21N3O3/c1-2-31-25(30)19-13-15-20(16-14-19)26-24(29)22-17-28(21-11-7-4-8-12-21)27-23(22)18-9-5-3-6-10-18/h3-17H,2H2,1H3,(H,26,29)
InChIKeyPSRIIEFYPRFVAL-UHFFFAOYSA-N
XLogP4.97
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
CID 1340433
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1068310
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 31858323
3-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 26311448
ethyl 4-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]amino]benzoate
CID 44614839
4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 2360683
ethyl (E)-3-[4-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]phenyl]prop-2-enoate
CID 46649884
ethyl 3-[[3-(5-bromothiophen-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
CID 142738790

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate (CID 1355724) is ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate?
The InChIKey is PSRIIEFYPRFVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-2-31-25(30)19-13-15-20(16-14-19)26-24(29)22-17-28(21-11-7-4-8-12-21)27-23(22)18-9-5-3-6-10-18/h3-17H,2H2,1H3,(H,26,29).
What are the key properties of ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate?
ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate has a molecular weight of 411.46 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 1355724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).