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

C19H22N4O4 — CID 143156203

IUPAC3-hydroxy-5-[(4-methylphenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(CN2CCn3nc(C(=O)N4CCOCC4)c(O)c3C2=O)cc1
InChIInChI=1S/C19H22N4O4/c1-13-2-4-14(5-3-13)12-22-6-7-23-16(19(22)26)17(24)15(20-23)18(25)21-8-10-27-11-9-21/h2-5,24H,6-12H2,1H3
InChIKeyVARHFWXVBFBBNK-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.03
Rot. Bonds3

About 3-hydroxy-5-[(4-methylphenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

3-hydroxy-5-[(4-methylphenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 143156203) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-hydroxy-5-[(4-methylphenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-hydroxy-5-[(4-methylphenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID143156203
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name3-hydroxy-5-[(4-methylphenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(CN2CCn3nc(C(=O)N4CCOCC4)c(O)c3C2=O)cc1
InChIInChI=1S/C19H22N4O4/c1-13-2-4-14(5-3-13)12-22-6-7-23-16(19(22)26)17(24)15(20-23)18(25)21-8-10-27-11-9-21/h2-5,24H,6-12H2,1H3
InChIKeyVARHFWXVBFBBNK-UHFFFAOYSA-N
XLogP1.03
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one
CID 53157733
methyl 5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 54706428
N-[2-(dimethylamino)-2-oxoethyl]-5-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-N-piperidin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 54695594
2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-6-(morpholine-4-carbonyl)-1,2,4-triazine-3,5-dione
CID 42836241
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-5-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;methyl 3-hydroxy-5-(1-morpholin-4-yl-2-oxoethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 87637237
5-[(4-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50797887
5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46169272
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
1-[(4-methylphenyl)methyl]-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-2,3-dione
CID 53063791
[1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone
CID 53012811
4-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one
CID 20942980
(3-chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-morpholin-4-ylmethanone
CID 176704421

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-[(4-methylphenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-hydroxy-5-[(4-methylphenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 143156203) is 3-hydroxy-5-[(4-methylphenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-hydroxy-5-[(4-methylphenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-hydroxy-5-[(4-methylphenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(CN2CCn3nc(C(=O)N4CCOCC4)c(O)c3C2=O)cc1.
What is the InChIKey of 3-hydroxy-5-[(4-methylphenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VARHFWXVBFBBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-13-2-4-14(5-3-13)12-22-6-7-23-16(19(22)26)17(24)15(20-23)18(25)21-8-10-27-11-9-21/h2-5,24H,6-12H2,1H3.
What are the key properties of 3-hydroxy-5-[(4-methylphenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
3-hydroxy-5-[(4-methylphenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 370.41 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-[(4-methylphenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 143156203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).