5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C18H19ClN4O3 — CID 46169272

IUPAC5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O)N1CCOCC1
InChIInChI=1S/C18H19ClN4O3/c19-14-4-2-1-3-13(14)12-22-5-6-23-16(18(22)25)11-15(20-23)17(24)21-7-9-26-10-8-21/h1-4,11H,5-10,12H2
InChIKeyAQZMQNOTUCEESS-UHFFFAOYSA-N
MW374.83 g/mol
LogP1.66
Rot. Bonds3

About 5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 46169272) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID46169272
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O)N1CCOCC1
InChIInChI=1S/C18H19ClN4O3/c19-14-4-2-1-3-13(14)12-22-5-6-23-16(18(22)25)11-15(20-23)17(24)21-7-9-26-10-8-21/h1-4,11H,5-10,12H2
InChIKeyAQZMQNOTUCEESS-UHFFFAOYSA-N
XLogP1.66
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077476
5-[(2-chlorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46169273
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077212
5-benzyl-2-(4-benzylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077097
5-[(2-chlorophenyl)methyl]-N-cyclohexyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875275
5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46078746
5-[(2-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 46169277
5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 50797858
5-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077271
5-[(2-chloro-6-fluorophenyl)methyl]-2-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 93006169
5-benzyl-2-(4-benzylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 46347961
2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 42875198

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 46169272) is 5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C(c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O)N1CCOCC1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is AQZMQNOTUCEESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c19-14-4-2-1-3-13(14)12-22-5-6-23-16(18(22)25)11-15(20-23)17(24)21-7-9-26-10-8-21/h1-4,11H,5-10,12H2.
What are the key properties of 5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 374.83 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 46169272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).