(4-pyrazol-1-ylphenyl)methyl 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate

C21H20N4O3 — CID 47586453

IUPAC(4-pyrazol-1-ylphenyl)methyl 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate
SMILESCc1cc(C(=O)OCc2ccc(-n3cccn3)cc2)ccc1N1CCNC1=O
InChIInChI=1S/C21H20N4O3/c1-15-13-17(5-8-19(15)24-12-10-22-21(24)27)20(26)28-14-16-3-6-18(7-4-16)25-11-2-9-23-25/h2-9,11,13H,10,12,14H2,1H3,(H,22,27)
InChIKeyUFSZPZCBLJGCSO-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.07
Rot. Bonds5

About (4-pyrazol-1-ylphenyl)methyl 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate

(4-pyrazol-1-ylphenyl)methyl 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate (PubChem CID 47586453) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)methyl 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)methyl 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate
PubChem CID47586453
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name(4-pyrazol-1-ylphenyl)methyl 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate
SMILESCc1cc(C(=O)OCc2ccc(-n3cccn3)cc2)ccc1N1CCNC1=O
InChIInChI=1S/C21H20N4O3/c1-15-13-17(5-8-19(15)24-12-10-22-21(24)27)20(26)28-14-16-3-6-18(7-4-16)25-11-2-9-23-25/h2-9,11,13H,10,12,14H2,1H3,(H,22,27)
InChIKeyUFSZPZCBLJGCSO-UHFFFAOYSA-N
XLogP3.07
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)methyl 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate?
The IUPAC name of (4-pyrazol-1-ylphenyl)methyl 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate (CID 47586453) is (4-pyrazol-1-ylphenyl)methyl 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)methyl 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate?
The canonical SMILES for (4-pyrazol-1-ylphenyl)methyl 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate is Cc1cc(C(=O)OCc2ccc(-n3cccn3)cc2)ccc1N1CCNC1=O.
What is the InChIKey of (4-pyrazol-1-ylphenyl)methyl 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate?
The InChIKey is UFSZPZCBLJGCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-15-13-17(5-8-19(15)24-12-10-22-21(24)27)20(26)28-14-16-3-6-18(7-4-16)25-11-2-9-23-25/h2-9,11,13H,10,12,14H2,1H3,(H,22,27).
What are the key properties of (4-pyrazol-1-ylphenyl)methyl 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate?
(4-pyrazol-1-ylphenyl)methyl 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate has a molecular weight of 376.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)methyl 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate is sourced from PubChem (CID 47586453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).