5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C16H16N4O — CID 155947667

IUPAC5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)n(CC4CC4)cnc32)cc1
InChIInChI=1S/C16H16N4O/c1-11-2-6-13(7-3-11)20-15-14(8-18-20)16(21)19(10-17-15)9-12-4-5-12/h2-3,6-8,10,12H,4-5,9H2,1H3
InChIKeyQYJRSCXMCKPXJL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.30
Rot. Bonds3

About 5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 155947667) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID155947667
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)n(CC4CC4)cnc32)cc1
InChIInChI=1S/C16H16N4O/c1-11-2-6-13(7-3-11)20-15-14(8-18-20)16(21)19(10-17-15)9-12-4-5-12/h2-3,6-8,10,12H,4-5,9H2,1H3
InChIKeyQYJRSCXMCKPXJL-UHFFFAOYSA-N
XLogP2.30
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 112772732
5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 71916816
ethyl 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate
CID 7160453
1-(4-fluorophenyl)-5-[[1-(2-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 146444579
1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7160449
1-(4-methylphenyl)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16883103
1-(4-methylphenyl)-5-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16883092
2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7080935
ethyl 1-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-3-carboxylate
CID 16883096
5-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7160468
5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2047328
5-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 155163147

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 155947667) is 5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2ncc3c(=O)n(CC4CC4)cnc32)cc1.
What is the InChIKey of 5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is QYJRSCXMCKPXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-2-6-13(7-3-11)20-15-14(8-18-20)16(21)19(10-17-15)9-12-4-5-12/h2-3,6-8,10,12H,4-5,9H2,1H3.
What are the key properties of 5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 280.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 155947667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).