5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C17H20N4O — CID 7160477

IUPAC5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O
InChIInChI=1S/C17H20N4O/c1-4-5-8-20-11-18-16-15(17(20)22)10-19-21(16)14-7-6-12(2)13(3)9-14/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyCSRGOMKYVCGPQW-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.00
Rot. Bonds4

About 5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7160477) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7160477
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O
InChIInChI=1S/C17H20N4O/c1-4-5-8-20-11-18-16-15(17(20)22)10-19-21(16)14-7-6-12(2)13(3)9-14/h6-7,9-11H,4-5,8H2,1-3H3
InChIKeyCSRGOMKYVCGPQW-UHFFFAOYSA-N
XLogP3.00
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 653837
1-(3,4-dimethylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 20888536
N-cyclopropyl-2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433574
2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 3236282
1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
CID 163346905
N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-ethoxyacetamide
CID 18586745
2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(3-nitrophenyl)acetamide
CID 16798531
1-(3,4-dimethylphenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 1433577
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 16798538
(E)-N-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]but-2-enamide
CID 16804222
5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2047328
ethyl 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate
CID 7160453

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 7160477) is 5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is CCCCn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O.
What is the InChIKey of 5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CSRGOMKYVCGPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-4-5-8-20-11-18-16-15(17(20)22)10-19-21(16)14-7-6-12(2)13(3)9-14/h6-7,9-11H,4-5,8H2,1-3H3.
What are the key properties of 5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 296.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7160477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).