ethyl 5-(4-acetamidophenyl)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C26H33N5O5 — CID 46279236

IUPACethyl 5-(4-acetamidophenyl)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCCC1)N(c1ccc(NC(C)=O)cc1)C2=O
InChIInChI=1S/C26H33N5O5/c1-4-36-24(34)21-15-22-23(33)31(20-13-11-19(12-14-20)27-17(2)32)26(3,16-30(22)29-21)25(35)28-18-9-7-5-6-8-10-18/h11-15,18H,4-10,16H2,1-3H3,(H,27,32)(H,28,35)
InChIKeyKXKVOLZOLIALPK-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.28
Rot. Bonds6

About ethyl 5-(4-acetamidophenyl)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl 5-(4-acetamidophenyl)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 46279236) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is ethyl 5-(4-acetamidophenyl)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-acetamidophenyl)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID46279236
Molecular FormulaC26H33N5O5
Molecular Weight495.58 g/mol
Exact Mass495.25
IUPAC Nameethyl 5-(4-acetamidophenyl)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCCC1)N(c1ccc(NC(C)=O)cc1)C2=O
InChIInChI=1S/C26H33N5O5/c1-4-36-24(34)21-15-22-23(33)31(20-13-11-19(12-14-20)27-17(2)32)26(3,16-30(22)29-21)25(35)28-18-9-7-5-6-8-10-18/h11-15,18H,4-10,16H2,1-3H3,(H,27,32)(H,28,35)
InChIKeyKXKVOLZOLIALPK-UHFFFAOYSA-N
XLogP3.28
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(4-acetamidophenyl)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

ethyl (6R)-6-(cyclohexylcarbamoyl)-5-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744952
ethyl 6-(cyclooctylcarbamoyl)-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 20919516
ethyl (6R)-6-(cyclohexylcarbamoyl)-5-(3,5-dimethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744934
ethyl (6R)-6-(cyclohexylcarbamoyl)-5-(3-fluoro-4-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92734899
ethyl (6S)-6-(cyclohexylcarbamoyl)-5-(3-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744975
ethyl (6S)-6-(cyclohexylcarbamoyl)-5-(2,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744965
ethyl 6-(cyclohexylcarbamoyl)-5-(2-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50758778
ethyl (6R)-6-(cyclopentylcarbamoyl)-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92745026
ethyl 5-[4-(iodomethyl)phenyl]-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 89338873
ethyl 6-(cyclooctylcarbamoyl)-5-(2,3-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 20919511
ethyl 6-(cycloheptylcarbamoyl)-5-(2,3-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46279205
ethyl (6R)-5-(2-chloro-4-methylphenyl)-6-(cyclohexylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744966

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-acetamidophenyl)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 5-(4-acetamidophenyl)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 46279236) is ethyl 5-(4-acetamidophenyl)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-acetamidophenyl)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 5-(4-acetamidophenyl)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)CC(C)(C(=O)NC1CCCCCC1)N(c1ccc(NC(C)=O)cc1)C2=O.
What is the InChIKey of ethyl 5-(4-acetamidophenyl)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is KXKVOLZOLIALPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5/c1-4-36-24(34)21-15-22-23(33)31(20-13-11-19(12-14-20)27-17(2)32)26(3,16-30(22)29-21)25(35)28-18-9-7-5-6-8-10-18/h11-15,18H,4-10,16H2,1-3H3,(H,27,32)(H,28,35).
What are the key properties of ethyl 5-(4-acetamidophenyl)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
ethyl 5-(4-acetamidophenyl)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 495.58 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-acetamidophenyl)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 46279236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).