5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C28H26N4O3 — CID 46078774

IUPAC5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cccc(CN2CCn3nc(C(=O)NCc4ccc(-c5ccccc5)cc4)cc3C2=O)c1
InChIInChI=1S/C28H26N4O3/c1-35-24-9-5-6-21(16-24)19-31-14-15-32-26(28(31)34)17-25(30-32)27(33)29-18-20-10-12-23(13-11-20)22-7-3-2-4-8-22/h2-13,16-17H,14-15,18-19H2,1H3,(H,29,33)
InChIKeyYSYNHBOZPAQELC-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.14
Rot. Bonds7

About 5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 46078774) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID46078774
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cccc(CN2CCn3nc(C(=O)NCc4ccc(-c5ccccc5)cc4)cc3C2=O)c1
InChIInChI=1S/C28H26N4O3/c1-35-24-9-5-6-21(16-24)19-31-14-15-32-26(28(31)34)17-25(30-32)27(33)29-18-20-10-12-23(13-11-20)22-7-3-2-4-8-22/h2-13,16-17H,14-15,18-19H2,1H3,(H,29,33)
InChIKeyYSYNHBOZPAQELC-UHFFFAOYSA-N
XLogP4.14
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46169943
methyl 5-[(3-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475692
N-benzyl-5-[(2-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077529
5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078805
5-[(3-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034560
N-[(4-fluorophenyl)methyl]-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077354
N-[(3,4-dimethoxyphenyl)methyl]-5-[(3-fluorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53086365
N-benzyl-5-[(3,5-dimethoxyphenyl)methyl]-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078802
5-benzyl-N-(furan-2-ylmethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077083
5-[(3-methoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 42875223
N-[2-(benzylamino)-2-oxoethyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 42855107
N-[(2-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034572

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 46078774) is 5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is COc1cccc(CN2CCn3nc(C(=O)NCc4ccc(-c5ccccc5)cc4)cc3C2=O)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is YSYNHBOZPAQELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-35-24-9-5-6-21(16-24)19-31-14-15-32-26(28(31)34)17-25(30-32)27(33)29-18-20-10-12-23(13-11-20)22-7-3-2-4-8-22/h2-13,16-17H,14-15,18-19H2,1H3,(H,29,33).
What are the key properties of 5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methyl]-4-oxo-N-[(4-phenylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 46078774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).