[2-(ethylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

C16H19N3O3 — CID 2080785

IUPAC[2-(ethylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
SMILESCCNC(=O)COC(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C16H19N3O3/c1-4-17-15(20)10-22-16(21)13-5-7-14(8-6-13)19-12(3)9-11(2)18-19/h5-9H,4,10H2,1-3H3,(H,17,20)
InChIKeyVASLZLONQYHWSW-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.78
Rot. Bonds5

About [2-(ethylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

[2-(ethylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate (PubChem CID 2080785) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
PubChem CID2080785
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[2-(ethylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
SMILESCCNC(=O)COC(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C16H19N3O3/c1-4-17-15(20)10-22-16(21)13-5-7-14(8-6-13)19-12(3)9-11(2)18-19/h5-9H,4,10H2,1-3H3,(H,17,20)
InChIKeyVASLZLONQYHWSW-UHFFFAOYSA-N
XLogP1.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate
CID 2741137
[2-(2-Fluoroanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 4791006
4-[(2-Ethyl-2H-pyrazole-3-carbonyl)-amino]-benzoic acid isopropyl ester
CID 841888
ethyl 4-({[(1,3,5-trimethyl-1H-pyrazol-4-yl)amino]carbonyl}amino)benzoate
CID 972049
[2-Oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2078661
[2-(4-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2080388
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2116736
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2126247
[2-[4-(Diethylsulfamoyl)anilino]-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2402009
[2-(Methylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate
CID 2427703
[2-(Benzhydrylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2447752
[2-[1-(2-Methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2553149

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate (CID 2080785) is [2-(ethylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate is CCNC(=O)COC(=O)c1ccc(-n2nc(C)cc2C)cc1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate?
The InChIKey is VASLZLONQYHWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-17-15(20)10-22-16(21)13-5-7-14(8-6-13)19-12(3)9-11(2)18-19/h5-9H,4,10H2,1-3H3,(H,17,20).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate?
[2-(ethylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate has a molecular weight of 301.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate is sourced from PubChem (CID 2080785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).