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

C23H30F2N4O2 — CID 50757078

IUPAC2-tert-butyl-5-(2,4-difluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC(C)CCNC(=O)C1(C)Cn2nc(C(C)(C)C)cc2C(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C23H30F2N4O2/c1-14(2)9-10-26-21(31)23(6)13-28-18(12-19(27-28)22(3,4)5)20(30)29(23)17-8-7-15(24)11-16(17)25/h7-8,11-12,14H,9-10,13H2,1-6H3,(H,26,31)
InChIKeyODTMNRUQWXGXLF-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.04
Rot. Bonds5

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

2-tert-butyl-5-(2,4-difluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 50757078) has the molecular formula C23H30F2N4O2 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,4-difluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-5-(2,4-difluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID50757078
Molecular FormulaC23H30F2N4O2
Molecular Weight432.52 g/mol
Exact Mass432.23
IUPAC Name2-tert-butyl-5-(2,4-difluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC(C)CCNC(=O)C1(C)Cn2nc(C(C)(C)C)cc2C(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C23H30F2N4O2/c1-14(2)9-10-26-21(31)23(6)13-28-18(12-19(27-28)22(3,4)5)20(30)29(23)17-8-7-15(24)11-16(17)25/h7-8,11-12,14H,9-10,13H2,1-6H3,(H,26,31)
InChIKeyODTMNRUQWXGXLF-UHFFFAOYSA-N
XLogP4.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-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
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 (6S)-5-(2,4-dimethylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92734922
(2S)-4-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2-methyl-N-(3-methylbutyl)-6-oxopiperazine-2-carboxamide
CID 92742489
ethyl 5-(2,5-dimethylphenyl)-6-methyl-6-(3-methylbutylcarbamoyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46260971
2-tert-butyl-N-cyclohexyl-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522226
(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
(6S)-N-benzyl-2-tert-butyl-5-(4-ethylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92740936
2-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278849

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2,4-difluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 2-tert-butyl-5-(2,4-difluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 50757078) is 2-tert-butyl-5-(2,4-difluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-5-(2,4-difluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-5-(2,4-difluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC(C)CCNC(=O)C1(C)Cn2nc(C(C)(C)C)cc2C(=O)N1c1ccc(F)cc1F.
What is the InChIKey of 2-tert-butyl-5-(2,4-difluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is ODTMNRUQWXGXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N4O2/c1-14(2)9-10-26-21(31)23(6)13-28-18(12-19(27-28)22(3,4)5)20(30)29(23)17-8-7-15(24)11-16(17)25/h7-8,11-12,14H,9-10,13H2,1-6H3,(H,26,31).
What are the key properties of 2-tert-butyl-5-(2,4-difluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
2-tert-butyl-5-(2,4-difluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,4-difluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 50757078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).