3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C18H20N4O — CID 135721150

IUPAC3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1ccccc1Cc1nc2c(C3CCCC3)[nH]nc2c(=O)[nH]1
InChIInChI=1S/C18H20N4O/c1-11-6-2-3-9-13(11)10-14-19-16-15(12-7-4-5-8-12)21-22-17(16)18(23)20-14/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,21,22)(H,19,20,23)
InChIKeyCGUCGETVNMDEDI-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.20
Rot. Bonds3

About 3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135721150) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135721150
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1ccccc1Cc1nc2c(C3CCCC3)[nH]nc2c(=O)[nH]1
InChIInChI=1S/C18H20N4O/c1-11-6-2-3-9-13(11)10-14-19-16-15(12-7-4-5-8-12)21-22-17(16)18(23)20-14/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,21,22)(H,19,20,23)
InChIKeyCGUCGETVNMDEDI-UHFFFAOYSA-N
XLogP3.20
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-5-[(2-ethoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 135721203
5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 115926310
5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 139016979
3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 162578810
2-[(2-methylphenyl)methyl]-6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbonitrile
CID 135995133
4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 63613771
4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole
CID 82947392
6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135908672
2-benzyl-5-bromo-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729655
3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 142238501
6-(2-methylbenzoyl)-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135593704
6-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidine-4-thione
CID 106475667

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 135721150) is 3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is Cc1ccccc1Cc1nc2c(C3CCCC3)[nH]nc2c(=O)[nH]1.
What is the InChIKey of 3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is CGUCGETVNMDEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-11-6-2-3-9-13(11)10-14-19-16-15(12-7-4-5-8-12)21-22-17(16)18(23)20-14/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,21,22)(H,19,20,23).
What are the key properties of 3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 308.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[(2-methylphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135721150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).