2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C24H34N4O2S — CID 46274181

IUPAC2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCSc1cccc(N2C(=O)c3cc(C(C)(C)C)nn3CC2(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C24H34N4O2S/c1-16(2)11-12-25-22(30)24(6)15-27-19(14-20(26-27)23(3,4)5)21(29)28(24)17-9-8-10-18(13-17)31-7/h8-10,13-14,16H,11-12,15H2,1-7H3,(H,25,30)
InChIKeyXDCVZHBSWUMOMI-UHFFFAOYSA-N
MW442.63 g/mol
LogP4.48
Rot. Bonds6

About 2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46274181) has the molecular formula C24H34N4O2S and a molecular weight of 442.63 g/mol. Its IUPAC name is 2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46274181
Molecular FormulaC24H34N4O2S
Molecular Weight442.63 g/mol
Exact Mass442.24
IUPAC Name2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCSc1cccc(N2C(=O)c3cc(C(C)(C)C)nn3CC2(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C24H34N4O2S/c1-16(2)11-12-25-22(30)24(6)15-27-19(14-20(26-27)23(3,4)5)21(29)28(24)17-9-8-10-18(13-17)31-7/h8-10,13-14,16H,11-12,15H2,1-7H3,(H,25,30)
InChIKeyXDCVZHBSWUMOMI-UHFFFAOYSA-N
XLogP4.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-2-tert-butyl-5-(2-ethylphenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92740984
2-tert-butyl-5-(2-ethylphenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50757089
2-tert-butyl-5-(2,4-difluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50757078
(6R)-2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92740978
2-tert-butyl-5-[(2-chlorophenyl)methyl]-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50757248
ethyl (6R)-5-(3-chlorophenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92734919
(6S)-N-(3-methoxypropyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739407
N-benzyl-2-tert-butyl-5-(3,4-dimethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50757166
(6S)-N-benzyl-2-tert-butyl-5-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92740936
(6R)-2-tert-butyl-N-cyclohexyl-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92903562
ethyl (6R)-5-(4-ethylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92734937
(6S)-5,6-dimethyl-6-N-(3-methylbutyl)-2-N-[(4-methylsulfanylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743740

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46274181) is 2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CSc1cccc(N2C(=O)c3cc(C(C)(C)C)nn3CC2(C)C(=O)NCCC(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is XDCVZHBSWUMOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2S/c1-16(2)11-12-25-22(30)24(6)15-27-19(14-20(26-27)23(3,4)5)21(29)28(24)17-9-8-10-18(13-17)31-7/h8-10,13-14,16H,11-12,15H2,1-7H3,(H,25,30).
What are the key properties of 2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 442.63 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46274181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).