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

C21H24N4O2 — CID 74250324

IUPAC4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1CC(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)CC1=O
InChIInChI=1S/C21H24N4O2/c1-2-8-23-14-17(12-20(23)26)21(27)24-9-10-25-19(15-24)13-18(22-25)11-16-6-4-3-5-7-16/h2-7,13,17H,1,8-12,14-15H2
InChIKeyOCVJBOBKLPWERO-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.85
Rot. Bonds5

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

4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-prop-2-enylpyrrolidin-2-one (PubChem CID 74250324) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-prop-2-enylpyrrolidin-2-one
PubChem CID74250324
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1CC(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)CC1=O
InChIInChI=1S/C21H24N4O2/c1-2-8-23-14-17(12-20(23)26)21(27)24-9-10-25-19(15-24)13-18(22-25)11-16-6-4-3-5-7-16/h2-7,13,17H,1,8-12,14-15H2
InChIKeyOCVJBOBKLPWERO-UHFFFAOYSA-N
XLogP1.85
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-1-prop-2-enylpyrrolidin-2-one
CID 131946642
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(1-benzylpyrazol-4-yl)methanone
CID 74243991
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
CID 74245060
1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 50972094
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone
CID 74233678
1-(2-phenylethyl)-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51262946
1-(2-methylphenyl)-4-[(3S)-6-oxo-1-prop-2-enylpiperidine-3-carbonyl]piperazin-2-one
CID 96580849
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 118793253
(4S)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97275458
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
(6S)-1-[(1-methylpyrazol-4-yl)methyl]-4-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one
CID 26147464
(4R)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 38474545

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-prop-2-enylpyrrolidin-2-one?
The IUPAC name of 4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-prop-2-enylpyrrolidin-2-one (CID 74250324) is 4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for 4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-prop-2-enylpyrrolidin-2-one is C=CCN1CC(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)CC1=O.
What is the InChIKey of 4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-prop-2-enylpyrrolidin-2-one?
The InChIKey is OCVJBOBKLPWERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-8-23-14-17(12-20(23)26)21(27)24-9-10-25-19(15-24)13-18(22-25)11-16-6-4-3-5-7-16/h2-7,13,17H,1,8-12,14-15H2.
What are the key properties of 4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-prop-2-enylpyrrolidin-2-one?
4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-prop-2-enylpyrrolidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 74250324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).