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

C25H36N4O2 — CID 92740984

IUPAC(6S)-2-tert-butyl-5-(2-ethylphenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCc1ccccc1N1C(=O)c2cc(C(C)(C)C)nn2C[C@@]1(C)C(=O)NCCC(C)C
InChIInChI=1S/C25H36N4O2/c1-8-18-11-9-10-12-19(18)29-22(30)20-15-21(24(4,5)6)27-28(20)16-25(29,7)23(31)26-14-13-17(2)3/h9-12,15,17H,8,13-14,16H2,1-7H3,(H,26,31)/t25-/m0/s1
InChIKeySQENHGDIEBVJGO-VWLOTQADSA-N
MW424.59 g/mol
LogP4.32
Rot. Bonds6

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

(6S)-2-tert-butyl-5-(2-ethylphenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92740984) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is (6S)-2-tert-butyl-5-(2-ethylphenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6S)-2-tert-butyl-5-(2-ethylphenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID92740984
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Name(6S)-2-tert-butyl-5-(2-ethylphenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCc1ccccc1N1C(=O)c2cc(C(C)(C)C)nn2C[C@@]1(C)C(=O)NCCC(C)C
InChIInChI=1S/C25H36N4O2/c1-8-18-11-9-10-12-19(18)29-22(30)20-15-21(24(4,5)6)27-28(20)16-25(29,7)23(31)26-14-13-17(2)3/h9-12,15,17H,8,13-14,16H2,1-7H3,(H,26,31)/t25-/m0/s1
InChIKeySQENHGDIEBVJGO-VWLOTQADSA-N
XLogP4.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-tert-butyl-5-[(2-chlorophenyl)methyl]-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50757248
2-tert-butyl-6-methyl-N-(3-methylbutyl)-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46274181
(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
(3S)-2-(2-ethylphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740013
(6S)-N-benzyl-2-tert-butyl-5-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92740936
ethyl 5-(2,5-dimethylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46260971
ethyl (6S)-5-(2,4-dimethylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92734922
ethyl (6R)-5-(4-ethylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92734937
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-chloro-2-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92740926

Frequently Asked Questions

What is the IUPAC name of (6S)-2-tert-butyl-5-(2-ethylphenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6S)-2-tert-butyl-5-(2-ethylphenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92740984) is (6S)-2-tert-butyl-5-(2-ethylphenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6S)-2-tert-butyl-5-(2-ethylphenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6S)-2-tert-butyl-5-(2-ethylphenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCc1ccccc1N1C(=O)c2cc(C(C)(C)C)nn2C[C@@]1(C)C(=O)NCCC(C)C.
What is the InChIKey of (6S)-2-tert-butyl-5-(2-ethylphenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is SQENHGDIEBVJGO-VWLOTQADSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-8-18-11-9-10-12-19(18)29-22(30)20-15-21(24(4,5)6)27-28(20)16-25(29,7)23(31)26-14-13-17(2)3/h9-12,15,17H,8,13-14,16H2,1-7H3,(H,26,31)/t25-/m0/s1.
What are the key properties of (6S)-2-tert-butyl-5-(2-ethylphenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6S)-2-tert-butyl-5-(2-ethylphenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-tert-butyl-5-(2-ethylphenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92740984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).