ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate

C23H19N3O3 — CID 51046380

IUPACethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C23H19N3O3/c1-2-29-23(28)18-11-5-6-13-19(18)24-22(27)21-14-20(25-26-21)17-12-7-9-15-8-3-4-10-16(15)17/h3-14H,2H2,1H3,(H,24,27)(H,25,26)
InChIKeyNVZVVHWMUWDREU-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.66
Rot. Bonds5

About ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate

ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate (PubChem CID 51046380) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate
PubChem CID51046380
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Nameethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C23H19N3O3/c1-2-29-23(28)18-11-5-6-13-19(18)24-22(27)21-14-20(25-26-21)17-12-7-9-15-8-3-4-10-16(15)17/h3-14H,2H2,1H3,(H,24,27)(H,25,26)
InChIKeyNVZVVHWMUWDREU-UHFFFAOYSA-N
XLogP4.66
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046359
N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046417
N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046396
ethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate
CID 139801143
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 2-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]benzoate
CID 110600656
3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 51046352
N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046553
N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046431
ethyl 2-[(1-oxoisothiochromene-3-carbonyl)amino]benzoate
CID 20896755
ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 135675399
methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 45030489

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate (CID 51046380) is ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1.
What is the InChIKey of ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate?
The InChIKey is NVZVVHWMUWDREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-2-29-23(28)18-11-5-6-13-19(18)24-22(27)21-14-20(25-26-21)17-12-7-9-15-8-3-4-10-16(15)17/h3-14H,2H2,1H3,(H,24,27)(H,25,26).
What are the key properties of ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate?
ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate has a molecular weight of 385.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate is sourced from PubChem (CID 51046380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).