propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate

C16H19N3O3 — CID 19580076

IUPACpropyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccn(CC)n2)cc1
InChIInChI=1S/C16H19N3O3/c1-3-11-22-16(21)12-5-7-13(8-6-12)17-15(20)14-9-10-19(4-2)18-14/h5-10H,3-4,11H2,1-2H3,(H,17,20)
InChIKeyREPCVUNOJLLSCO-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.72
Rot. Bonds6

About propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate

propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate (PubChem CID 19580076) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
PubChem CID19580076
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namepropyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccn(CC)n2)cc1
InChIInChI=1S/C16H19N3O3/c1-3-11-22-16(21)12-5-7-13(8-6-12)17-15(20)14-9-10-19(4-2)18-14/h5-10H,3-4,11H2,1-2H3,(H,17,20)
InChIKeyREPCVUNOJLLSCO-UHFFFAOYSA-N
XLogP2.72
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 131908281
propyl 4-(pyridine-2-carbonylamino)benzoate
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propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 51331436
2-[3-[[4-[2-(diethylamino)ethoxycarbonyl]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504125
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772
propyl 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate
CID 78780070
1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 35325067
propyl 4-(1H-imidazole-5-carbonylamino)benzoate
CID 63929483
propyl 4-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoate
CID 29211303

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate?
The IUPAC name of propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate (CID 19580076) is propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate?
The canonical SMILES for propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2ccn(CC)n2)cc1.
What is the InChIKey of propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate?
The InChIKey is REPCVUNOJLLSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-11-22-16(21)12-5-7-13(8-6-12)17-15(20)14-9-10-19(4-2)18-14/h5-10H,3-4,11H2,1-2H3,(H,17,20).
What are the key properties of propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate?
propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate has a molecular weight of 301.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 19580076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).