6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H23N3O — CID 157439431

IUPAC6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C3CCCC3)c(C)[nH]n2c(=O)c1Cc1ccccc1
InChIInChI=1S/C20H23N3O/c1-13-17(12-15-8-4-3-5-9-15)20(24)23-19(21-13)18(14(2)22-23)16-10-6-7-11-16/h3-5,8-9,16,22H,6-7,10-12H2,1-2H3
InChIKeyGDGDOXOSQARDEG-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.89
Rot. Bonds3

About 6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 157439431) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID157439431
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C3CCCC3)c(C)[nH]n2c(=O)c1Cc1ccccc1
InChIInChI=1S/C20H23N3O/c1-13-17(12-15-8-4-3-5-9-15)20(24)23-19(21-13)18(14(2)22-23)16-10-6-7-11-16/h3-5,8-9,16,22H,6-7,10-12H2,1-2H3
InChIKeyGDGDOXOSQARDEG-UHFFFAOYSA-N
XLogP3.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 157439431) is 6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(C3CCCC3)c(C)[nH]n2c(=O)c1Cc1ccccc1.
What is the InChIKey of 6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GDGDOXOSQARDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-13-17(12-15-8-4-3-5-9-15)20(24)23-19(21-13)18(14(2)22-23)16-10-6-7-11-16/h3-5,8-9,16,22H,6-7,10-12H2,1-2H3.
What are the key properties of 6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 321.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-cyclopentyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 157439431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).