5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C16H16N4O — CID 71916816

IUPAC5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1ncc2c(=O)n(CC3CC3)cnc21
InChIInChI=1S/C16H16N4O/c1-11-4-2-3-5-14(11)20-15-13(8-18-20)16(21)19(10-17-15)9-12-6-7-12/h2-5,8,10,12H,6-7,9H2,1H3
InChIKeyZLZIHUDAVSNRPP-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.30
Rot. Bonds3

About 5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 71916816) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID71916816
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1ncc2c(=O)n(CC3CC3)cnc21
InChIInChI=1S/C16H16N4O/c1-11-4-2-3-5-14(11)20-15-13(8-18-20)16(21)19(10-17-15)9-12-6-7-12/h2-5,8,10,12H,6-7,9H2,1H3
InChIKeyZLZIHUDAVSNRPP-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-(2-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

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 71916816) is 5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccccc1-n1ncc2c(=O)n(CC3CC3)cnc21.
What is the InChIKey of 5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZLZIHUDAVSNRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-4-2-3-5-14(11)20-15-13(8-18-20)16(21)19(10-17-15)9-12-6-7-12/h2-5,8,10,12H,6-7,9H2,1H3.
What are the key properties of 5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-(cyclopropylmethyl)-1-(2-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-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 71916816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).