5-(3,4-dimethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C15H16N4O3 — CID 135626427

IUPAC5-(3,4-dimethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCOc1ccc(-c2nc3c(C)nn(C)c3c(=O)[nH]2)cc1OC
InChIInChI=1S/C15H16N4O3/c1-8-12-13(19(2)18-8)15(20)17-14(16-12)9-5-6-10(21-3)11(7-9)22-4/h5-7H,1-4H3,(H,16,17,20)
InChIKeyCGOCMVVLJPYLMB-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.65
Rot. Bonds3

About 5-(3,4-dimethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

5-(3,4-dimethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135626427) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135626427
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name5-(3,4-dimethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCOc1ccc(-c2nc3c(C)nn(C)c3c(=O)[nH]2)cc1OC
InChIInChI=1S/C15H16N4O3/c1-8-12-13(19(2)18-8)15(20)17-14(16-12)9-5-6-10(21-3)11(7-9)22-4/h5-7H,1-4H3,(H,16,17,20)
InChIKeyCGOCMVVLJPYLMB-UHFFFAOYSA-N
XLogP1.65
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone
CID 135401477
N-[(3,4-Dimethoxyphenyl)methyl]-2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]butanamide
CID 16022664
5-(2-ethoxyphenyl)-1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135433645
N-[(3-methoxyphenyl)methyl]-1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidine-6-carboxamide
CID 135982356
5-(4-methoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135832625
N-[(3,4-Dimethoxyphenyl)methyl]-4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]butanamide
CID 16022696
N-[(3,4-Dimethoxyphenyl)methyl]-3-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}propanamide
CID 16022876
N-[(3,4-Dimethoxyphenyl)methyl]-2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]acetamide
CID 20919842
N-[2-(3,4-Diethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-5-YL]acetamide
CID 22513160
5-(3,4-Dimethoxyphenyl)-1-(2-hydroxyethyl)-3-pentan-3-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one
CID 71624532
5-(3,4-Dimethoxyphenyl)-1-(3-hydroxypropyl)-3-pentan-3-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one
CID 71624639
N-[2-(3,4-Dimethoxyphenyl)ethyl]-6-methyl-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazine-2-carboxamide
CID 91891199

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135626427) is 5-(3,4-dimethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is COc1ccc(-c2nc3c(C)nn(C)c3c(=O)[nH]2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is CGOCMVVLJPYLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-8-12-13(19(2)18-8)15(20)17-14(16-12)9-5-6-10(21-3)11(7-9)22-4/h5-7H,1-4H3,(H,16,17,20).
What are the key properties of 5-(3,4-dimethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-(3,4-dimethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 300.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135626427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).