ethyl 2-phenyl-1-(phenylcarbamoyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate

C21H20N4O3 — CID 56970809

IUPACethyl 2-phenyl-1-(phenylcarbamoyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
SMILESCCOC(=O)c1cnn2c1N(C(=O)Nc1ccccc1)C(c1ccccc1)C2
InChIInChI=1S/C21H20N4O3/c1-2-28-20(26)17-13-22-24-14-18(15-9-5-3-6-10-15)25(19(17)24)21(27)23-16-11-7-4-8-12-16/h3-13,18H,2,14H2,1H3,(H,23,27)
InChIKeyYOOMOZISUHRYOY-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.85
Rot. Bonds4

About ethyl 2-phenyl-1-(phenylcarbamoyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate

ethyl 2-phenyl-1-(phenylcarbamoyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate (PubChem CID 56970809) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is ethyl 2-phenyl-1-(phenylcarbamoyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-1-(phenylcarbamoyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
PubChem CID56970809
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Nameethyl 2-phenyl-1-(phenylcarbamoyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
SMILESCCOC(=O)c1cnn2c1N(C(=O)Nc1ccccc1)C(c1ccccc1)C2
InChIInChI=1S/C21H20N4O3/c1-2-28-20(26)17-13-22-24-14-18(15-9-5-3-6-10-15)25(19(17)24)21(27)23-16-11-7-4-8-12-16/h3-13,18H,2,14H2,1H3,(H,23,27)
InChIKeyYOOMOZISUHRYOY-UHFFFAOYSA-N
XLogP3.85
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-1-(phenylcarbamoyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The IUPAC name of ethyl 2-phenyl-1-(phenylcarbamoyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate (CID 56970809) is ethyl 2-phenyl-1-(phenylcarbamoyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-1-(phenylcarbamoyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The canonical SMILES for ethyl 2-phenyl-1-(phenylcarbamoyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate is CCOC(=O)c1cnn2c1N(C(=O)Nc1ccccc1)C(c1ccccc1)C2.
What is the InChIKey of ethyl 2-phenyl-1-(phenylcarbamoyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The InChIKey is YOOMOZISUHRYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-2-28-20(26)17-13-22-24-14-18(15-9-5-3-6-10-15)25(19(17)24)21(27)23-16-11-7-4-8-12-16/h3-13,18H,2,14H2,1H3,(H,23,27).
What are the key properties of ethyl 2-phenyl-1-(phenylcarbamoyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
ethyl 2-phenyl-1-(phenylcarbamoyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate has a molecular weight of 376.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-1-(phenylcarbamoyl)-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate is sourced from PubChem (CID 56970809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).