N-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C23H24N4O3 — CID 53003559

IUPACN-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(N2C(=O)c3cc(C)nn3CC2(C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H24N4O3/c1-16-13-20-21(28)27(18-9-11-19(30-3)12-10-18)23(2,15-26(20)25-16)22(29)24-14-17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3,(H,24,29)
InChIKeyPVEPYMRYNBBMCL-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.94
Rot. Bonds5

About N-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 53003559) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID53003559
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(N2C(=O)c3cc(C)nn3CC2(C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H24N4O3/c1-16-13-20-21(28)27(18-9-11-19(30-3)12-10-18)23(2,15-26(20)25-16)22(29)24-14-17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3,(H,24,29)
InChIKeyPVEPYMRYNBBMCL-UHFFFAOYSA-N
XLogP2.94
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-5-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 93064979
(6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 93065003
(6S)-N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-(4-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739347
5-(3,5-dimethoxyphenyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049624
(6R)-N-benzyl-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739286
N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049639
(6R)-N-[(4-chlorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063271
N-benzyl-5-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756510
(6R)-N-benzyl-5-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739328
(6S)-N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739319
(6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063279
5-(4-ethylphenyl)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049415

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 53003559) is N-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccc(N2C(=O)c3cc(C)nn3CC2(C)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is PVEPYMRYNBBMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16-13-20-21(28)27(18-9-11-19(30-3)12-10-18)23(2,15-26(20)25-16)22(29)24-14-17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3,(H,24,29).
What are the key properties of N-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 53003559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).