ethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate

C24H23N3O5 — CID 170713417

IUPACethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1cnn2c1C(=O)N(c1ccc(C(=O)c3ccc(OC)cc3)cc1)[C@@H](C)C2
InChIInChI=1S/C24H23N3O5/c1-4-32-24(30)20-13-25-26-14-15(2)27(23(29)21(20)26)18-9-5-16(6-10-18)22(28)17-7-11-19(31-3)12-8-17/h5-13,15H,4,14H2,1-3H3/t15-/m0/s1
InChIKeySHDPUMHOQIJDOY-HNNXBMFYSA-N
MW433.46 g/mol
LogP3.35
Rot. Bonds6

About ethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate

ethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate (PubChem CID 170713417) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is ethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Nameethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
PubChem CID170713417
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Nameethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1cnn2c1C(=O)N(c1ccc(C(=O)c3ccc(OC)cc3)cc1)[C@@H](C)C2
InChIInChI=1S/C24H23N3O5/c1-4-32-24(30)20-13-25-26-14-15(2)27(23(29)21(20)26)18-9-5-16(6-10-18)22(28)17-7-11-19(31-3)12-8-17/h5-13,15H,4,14H2,1-3H3/t15-/m0/s1
InChIKeySHDPUMHOQIJDOY-HNNXBMFYSA-N
XLogP3.35
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate?
The IUPAC name of ethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate (CID 170713417) is ethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate.
What is the SMILES notation for ethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate?
The canonical SMILES for ethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate is CCOC(=O)c1cnn2c1C(=O)N(c1ccc(C(=O)c3ccc(OC)cc3)cc1)[C@@H](C)C2.
What is the InChIKey of ethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate?
The InChIKey is SHDPUMHOQIJDOY-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-4-32-24(30)20-13-25-26-14-15(2)27(23(29)21(20)26)18-9-5-16(6-10-18)22(28)17-7-11-19(31-3)12-8-17/h5-13,15H,4,14H2,1-3H3/t15-/m0/s1.
What are the key properties of ethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate?
ethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate has a molecular weight of 433.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate is sourced from PubChem (CID 170713417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).