[2-(ethylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate

C20H19N3O3 — CID 2436306

IUPAC[2-(ethylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate
SMILESCCNC(=O)COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-2-21-19(24)14-26-20(25)18-13-17(15-9-5-3-6-10-15)22-23(18)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3,(H,21,24)
InChIKeyFRJBIKRNAOHHGA-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.83
Rot. Bonds6

About [2-(ethylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate

[2-(ethylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate (PubChem CID 2436306) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate
PubChem CID2436306
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name[2-(ethylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate
SMILESCCNC(=O)COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-2-21-19(24)14-26-20(25)18-13-17(15-9-5-3-6-10-15)22-23(18)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3,(H,21,24)
InChIKeyFRJBIKRNAOHHGA-UHFFFAOYSA-N
XLogP2.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate (CID 2436306) is [2-(ethylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate is CCNC(=O)COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate?
The InChIKey is FRJBIKRNAOHHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-21-19(24)14-26-20(25)18-13-17(15-9-5-3-6-10-15)22-23(18)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3,(H,21,24).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate?
[2-(ethylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate is sourced from PubChem (CID 2436306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).