4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one

C19H18N4O2 — CID 90104731

IUPAC4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCOc1ccc(CN2c3cn[nH]c3C(=O)NC2c2ccccc2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-15-9-7-13(8-10-15)12-23-16-11-20-22-17(16)19(24)21-18(23)14-5-3-2-4-6-14/h2-11,18H,12H2,1H3,(H,20,22)(H,21,24)
InChIKeyYQCXYKDBZOOOTB-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.87
Rot. Bonds4

About 4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one

4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 90104731) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID90104731
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCOc1ccc(CN2c3cn[nH]c3C(=O)NC2c2ccccc2)cc1
InChIInChI=1S/C19H18N4O2/c1-25-15-9-7-13(8-10-15)12-23-16-11-20-22-17(16)19(24)21-18(23)14-5-3-2-4-6-14/h2-11,18H,12H2,1H3,(H,20,22)(H,21,24)
InChIKeyYQCXYKDBZOOOTB-UHFFFAOYSA-N
XLogP2.87
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one with MolForge

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Related Compounds

(2S)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41064218
1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one
CID 16579069
(3R,3aS,7aS)-1-[(4-methoxyphenyl)methyl]-3-phenyl-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
CID 10664533
1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione
CID 134833560
(3R,4S,5R)-1-benzyl-3,4-dihydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 10881978
(4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one
CID 134944587
1,7-dibenzyl-8-phenyl-8,9-dihydropurin-2-one
CID 135516517
(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 10266407
3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 563542
5-(bromomethyl)-1-[(4-methoxyphenyl)methyl]-6-phenylpiperidin-2-one
CID 122621996
4-[(4-methoxyphenyl)methyl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-5-one
CID 26352505
(5S,6S)-1-[(4-methoxyphenyl)methyl]-6-phenyl-5-phenylmethoxypiperidin-2-one
CID 102479873

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one (CID 90104731) is 4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one is COc1ccc(CN2c3cn[nH]c3C(=O)NC2c2ccccc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is YQCXYKDBZOOOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-15-9-7-13(8-10-15)12-23-16-11-20-22-17(16)19(24)21-18(23)14-5-3-2-4-6-14/h2-11,18H,12H2,1H3,(H,20,22)(H,21,24).
What are the key properties of 4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one?
4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 334.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 90104731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).