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

C22H21ClN4O2 — CID 46077230

IUPAC5-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3n(n2)CCN(Cc2cccc(Cl)c2)C3=O)cc1C
InChIInChI=1S/C22H21ClN4O2/c1-14-6-7-18(10-15(14)2)24-21(28)19-12-20-22(29)26(8-9-27(20)25-19)13-16-4-3-5-17(23)11-16/h3-7,10-12H,8-9,13H2,1-2H3,(H,24,28)
InChIKeyNYYPILUYPXUZHZ-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.06
Rot. Bonds4

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

5-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 46077230) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID46077230
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name5-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3n(n2)CCN(Cc2cccc(Cl)c2)C3=O)cc1C
InChIInChI=1S/C22H21ClN4O2/c1-14-6-7-18(10-15(14)2)24-21(28)19-12-20-22(29)26(8-9-27(20)25-19)13-16-4-3-5-17(23)11-16/h3-7,10-12H,8-9,13H2,1-2H3,(H,24,28)
InChIKeyNYYPILUYPXUZHZ-UHFFFAOYSA-N
XLogP4.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-N-(4-propan-2-ylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46169887
5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077090
N-cyclopropyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034567
N-(2,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034527
methyl 5-[(3-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475692
N-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077269
5-benzyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42876383
N-butyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034583
5-[(3-chlorophenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077251
5-[(4-chlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875171
5-[(3,4-dichlorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875333
N-[(2-methylphenyl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034591

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 46077230) is 5-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cc3n(n2)CCN(Cc2cccc(Cl)c2)C3=O)cc1C.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is NYYPILUYPXUZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-14-6-7-18(10-15(14)2)24-21(28)19-12-20-22(29)26(8-9-27(20)25-19)13-16-4-3-5-17(23)11-16/h3-7,10-12H,8-9,13H2,1-2H3,(H,24,28).
What are the key properties of 5-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 46077230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).