5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C22H22N4O2 — CID 46077090

IUPAC5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cc2n(n1)CCN(Cc1ccccc1)C2=O)c1ccccc1
InChIInChI=1S/C22H22N4O2/c1-16(18-10-6-3-7-11-18)23-21(27)19-14-20-22(28)25(12-13-26(20)24-19)15-17-8-4-2-5-9-17/h2-11,14,16H,12-13,15H2,1H3,(H,23,27)
InChIKeySEBWMYWDZPCJNZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.03
Rot. Bonds5

About 5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 46077090) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID46077090
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cc2n(n1)CCN(Cc1ccccc1)C2=O)c1ccccc1
InChIInChI=1S/C22H22N4O2/c1-16(18-10-6-3-7-11-18)23-21(27)19-14-20-22(28)25(12-13-26(20)24-19)15-17-8-4-2-5-9-17/h2-11,14,16H,12-13,15H2,1H3,(H,23,27)
InChIKeySEBWMYWDZPCJNZ-UHFFFAOYSA-N
XLogP3.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-4-oxo-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 93332492
5-[(2,6-dichlorophenyl)methyl]-4-oxo-N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 93006238
5-benzyl-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049845
N-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 93006117
5-(cyclopropylmethyl)-N-(1,2-diphenylethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077462
N,5-dibenzyl-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078708
5-benzyl-4-oxo-N-propyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50798056
5-benzyl-N-(furan-2-ylmethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077083
N-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 24715546
N-butan-2-yl-5-[(4-chlorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50797863
5-benzyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42876383
5-benzyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078705

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 46077090) is 5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is CC(NC(=O)c1cc2n(n1)CCN(Cc1ccccc1)C2=O)c1ccccc1.
What is the InChIKey of 5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is SEBWMYWDZPCJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16(18-10-6-3-7-11-18)23-21(27)19-14-20-22(28)25(12-13-26(20)24-19)15-17-8-4-2-5-9-17/h2-11,14,16H,12-13,15H2,1H3,(H,23,27).
What are the key properties of 5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 46077090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).