4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one

C19H23N5O2 — CID 56720323

IUPAC4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cc3n(n2)CCN(Cc2ccccc2)C3)CC1=O
InChIInChI=1S/C19H23N5O2/c1-21-7-9-23(14-18(21)25)19(26)17-11-16-13-22(8-10-24(16)20-17)12-15-5-3-2-4-6-15/h2-6,11H,7-10,12-14H2,1H3
InChIKeyUUAUXOFOXSRQSA-UHFFFAOYSA-N
MW353.43 g/mol
LogP0.81
Rot. Bonds3

About 4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one

4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one (PubChem CID 56720323) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one
PubChem CID56720323
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cc3n(n2)CCN(Cc2ccccc2)C3)CC1=O
InChIInChI=1S/C19H23N5O2/c1-21-7-9-23(14-18(21)25)19(26)17-11-16-13-22(8-10-24(16)20-17)12-15-5-3-2-4-6-15/h2-6,11H,7-10,12-14H2,1H3
InChIKeyUUAUXOFOXSRQSA-UHFFFAOYSA-N
XLogP0.81
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-benzyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 95141808
5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 137452745
methyl (2S,4R)-1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 50972197
(5-benzyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 50976050
5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 50962804
3-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzoic acid
CID 64693242
5-benzyl-N-[1-(hydroxymethyl)cyclopentyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50985031
1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol
CID 90653864
5-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95121007
5-benzyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50983965
5-benzyl-2-(4-benzylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 46347961
4-(1-aminoisoquinoline-3-carbonyl)-1-methylpiperazin-2-one
CID 64694989

Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one (CID 56720323) is 4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one is CN1CCN(C(=O)c2cc3n(n2)CCN(Cc2ccccc2)C3)CC1=O.
What is the InChIKey of 4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one?
The InChIKey is UUAUXOFOXSRQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-21-7-9-23(14-18(21)25)19(26)17-11-16-13-22(8-10-24(16)20-17)12-15-5-3-2-4-6-15/h2-6,11H,7-10,12-14H2,1H3.
What are the key properties of 4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one?
4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one has a molecular weight of 353.43 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 56720323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).