[2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate

C20H20N4O4 — CID 55560806

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C20H20N4O4/c1-21-20(27)22-18(25)13-28-19(26)16-12-17(14-8-4-2-5-9-14)24(23-16)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3,(H2,21,22,25,27)
InChIKeyDFMGOAXFOJMFCA-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.99
Rot. Bonds5

About [2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate

[2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 55560806) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID55560806
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C20H20N4O4/c1-21-20(27)22-18(25)13-28-19(26)16-12-17(14-8-4-2-5-9-14)24(23-16)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3,(H2,21,22,25,27)
InChIKeyDFMGOAXFOJMFCA-UHFFFAOYSA-N
XLogP1.99
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate (CID 55560806) is [2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate is CNC(=O)NC(=O)COC(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is DFMGOAXFOJMFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-21-20(27)22-18(25)13-28-19(26)16-12-17(14-8-4-2-5-9-14)24(23-16)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3,(H2,21,22,25,27).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 55560806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).