propan-2-yl 1-benzyl-6-oxo-5-phenyl-4,5-dihydropyridazine-3-carboxylate

C21H22N2O3 — CID 70676054

IUPACpropan-2-yl 1-benzyl-6-oxo-5-phenyl-4,5-dihydropyridazine-3-carboxylate
SMILESCC(C)OC(=O)C1=NN(Cc2ccccc2)C(=O)C(c2ccccc2)C1
InChIInChI=1S/C21H22N2O3/c1-15(2)26-21(25)19-13-18(17-11-7-4-8-12-17)20(24)23(22-19)14-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3
InChIKeyRNOAZSAUHQPMMU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.51
Rot. Bonds5

About propan-2-yl 1-benzyl-6-oxo-5-phenyl-4,5-dihydropyridazine-3-carboxylate

propan-2-yl 1-benzyl-6-oxo-5-phenyl-4,5-dihydropyridazine-3-carboxylate (PubChem CID 70676054) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is propan-2-yl 1-benzyl-6-oxo-5-phenyl-4,5-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-benzyl-6-oxo-5-phenyl-4,5-dihydropyridazine-3-carboxylate
PubChem CID70676054
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Namepropan-2-yl 1-benzyl-6-oxo-5-phenyl-4,5-dihydropyridazine-3-carboxylate
SMILESCC(C)OC(=O)C1=NN(Cc2ccccc2)C(=O)C(c2ccccc2)C1
InChIInChI=1S/C21H22N2O3/c1-15(2)26-21(25)19-13-18(17-11-7-4-8-12-17)20(24)23(22-19)14-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3
InChIKeyRNOAZSAUHQPMMU-UHFFFAOYSA-N
XLogP3.51
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-benzyl-6-oxo-5-phenyl-4,5-dihydropyridazine-3-carboxylate?
The IUPAC name of propan-2-yl 1-benzyl-6-oxo-5-phenyl-4,5-dihydropyridazine-3-carboxylate (CID 70676054) is propan-2-yl 1-benzyl-6-oxo-5-phenyl-4,5-dihydropyridazine-3-carboxylate.
What is the SMILES notation for propan-2-yl 1-benzyl-6-oxo-5-phenyl-4,5-dihydropyridazine-3-carboxylate?
The canonical SMILES for propan-2-yl 1-benzyl-6-oxo-5-phenyl-4,5-dihydropyridazine-3-carboxylate is CC(C)OC(=O)C1=NN(Cc2ccccc2)C(=O)C(c2ccccc2)C1.
What is the InChIKey of propan-2-yl 1-benzyl-6-oxo-5-phenyl-4,5-dihydropyridazine-3-carboxylate?
The InChIKey is RNOAZSAUHQPMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15(2)26-21(25)19-13-18(17-11-7-4-8-12-17)20(24)23(22-19)14-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3.
What are the key properties of propan-2-yl 1-benzyl-6-oxo-5-phenyl-4,5-dihydropyridazine-3-carboxylate?
propan-2-yl 1-benzyl-6-oxo-5-phenyl-4,5-dihydropyridazine-3-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-benzyl-6-oxo-5-phenyl-4,5-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 70676054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).