ethyl (6R)-5-(4-ethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C23H30N4O6 — CID 92745191

IUPACethyl (6R)-5-(4-ethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCCOC)N(c1ccc(OCC)cc1)C2=O
InChIInChI=1S/C23H30N4O6/c1-5-32-17-10-8-16(9-11-17)27-20(28)19-14-18(21(29)33-6-2)25-26(19)15-23(27,3)22(30)24-12-7-13-31-4/h8-11,14H,5-7,12-13,15H2,1-4H3,(H,24,30)/t23-/m1/s1
InChIKeyCCPJEYKAEOSLIR-HSZRJFAPSA-N
MW458.52 g/mol
LogP2.03
Rot. Bonds10

About ethyl (6R)-5-(4-ethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl (6R)-5-(4-ethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 92745191) has the molecular formula C23H30N4O6 and a molecular weight of 458.52 g/mol. Its IUPAC name is ethyl (6R)-5-(4-ethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl (6R)-5-(4-ethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID92745191
Molecular FormulaC23H30N4O6
Molecular Weight458.52 g/mol
Exact Mass458.22
IUPAC Nameethyl (6R)-5-(4-ethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCCOC)N(c1ccc(OCC)cc1)C2=O
InChIInChI=1S/C23H30N4O6/c1-5-32-17-10-8-16(9-11-17)27-20(28)19-14-18(21(29)33-6-2)25-26(19)15-23(27,3)22(30)24-12-7-13-31-4/h8-11,14H,5-7,12-13,15H2,1-4H3,(H,24,30)/t23-/m1/s1
InChIKeyCCPJEYKAEOSLIR-HSZRJFAPSA-N
XLogP2.03
TPSA111.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl (6R)-5-(1,3-benzodioxol-5-yl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92745205
ethyl (6S)-5-(3,4-dimethylphenyl)-6-(2-methoxyethylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92745226
ethyl 6-(3-methoxypropylcarbamoyl)-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46279295
ethyl (6R)-6-(cyclohexylcarbamoyl)-5-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744952
ethyl (6R)-5-(4-ethylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92734937
ethyl (6S)-5-(1,3-benzodioxol-5-yl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92734950
ethyl (6R)-5-(1,3-benzodioxol-5-yl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92734949
ethyl (6R)-5-(3-chlorophenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92734919
ethyl (6S)-6-(benzylcarbamoyl)-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92745096
(6R)-N-(3-methoxypropyl)-6-methyl-4-oxo-2-phenyl-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739416
ethyl (6R)-6-(cyclohexylcarbamoyl)-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744934
ethyl 6-(cyclooctylcarbamoyl)-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 20919516

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-5-(4-ethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl (6R)-5-(4-ethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 92745191) is ethyl (6R)-5-(4-ethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl (6R)-5-(4-ethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl (6R)-5-(4-ethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCCOC)N(c1ccc(OCC)cc1)C2=O.
What is the InChIKey of ethyl (6R)-5-(4-ethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is CCPJEYKAEOSLIR-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H30N4O6/c1-5-32-17-10-8-16(9-11-17)27-20(28)19-14-18(21(29)33-6-2)25-26(19)15-23(27,3)22(30)24-12-7-13-31-4/h8-11,14H,5-7,12-13,15H2,1-4H3,(H,24,30)/t23-/m1/s1.
What are the key properties of ethyl (6R)-5-(4-ethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
ethyl (6R)-5-(4-ethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 458.52 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R)-5-(4-ethoxyphenyl)-6-(3-methoxypropylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 92745191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).