4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C21H25N5O3 — CID 42875145

IUPAC4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(CN1CCn2nc(C(=O)NCCN3CCCC3)cc2C1=O)c1ccccc1
InChIInChI=1S/C21H25N5O3/c27-19(16-6-2-1-3-7-16)15-25-12-13-26-18(21(25)29)14-17(23-26)20(28)22-8-11-24-9-4-5-10-24/h1-3,6-7,14H,4-5,8-13,15H2,(H,22,28)
InChIKeyGTKCUPMDAVPDBI-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.05
Rot. Bonds7

About 4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 42875145) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID42875145
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(CN1CCn2nc(C(=O)NCCN3CCCC3)cc2C1=O)c1ccccc1
InChIInChI=1S/C21H25N5O3/c27-19(16-6-2-1-3-7-16)15-25-12-13-26-18(21(25)29)14-17(23-26)20(28)22-8-11-24-9-4-5-10-24/h1-3,6-7,14H,4-5,8-13,15H2,(H,22,28)
InChIKeyGTKCUPMDAVPDBI-UHFFFAOYSA-N
XLogP1.05
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3,4-dichlorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875333
5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077388
5-benzyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42876383
(6R)-6-N-benzyl-5,6-dimethyl-4-oxo-2-N-(2-pyrrolidin-1-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743830
5-benzyl-4-oxo-N-propyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50798056
5-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 24716003
5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078805
N-benzyl-5-[2-(N-methylanilino)-2-oxoethyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 91906892
5-[(4-methylphenyl)methyl]-4-oxo-N-[(2R)-1-oxo-1-(2-piperidin-1-ylethylamino)propan-2-yl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 92986873
5-benzyl-N-(furan-2-ylmethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077083
5-[(2-chlorophenyl)methyl]-N-cyclohexyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875275
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 42875145) is 4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(CN1CCn2nc(C(=O)NCCN3CCCC3)cc2C1=O)c1ccccc1.
What is the InChIKey of 4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is GTKCUPMDAVPDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c27-19(16-6-2-1-3-7-16)15-25-12-13-26-18(21(25)29)14-17(23-26)20(28)22-8-11-24-9-4-5-10-24/h1-3,6-7,14H,4-5,8-13,15H2,(H,22,28).
What are the key properties of 4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 42875145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).