6-cyclopentyl-3-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H24N4O — CID 82273402

IUPAC6-cyclopentyl-3-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(CN(C)C)c(C)[nH]n2c(=O)c1C1CCCC1
InChIInChI=1S/C16H24N4O/c1-10-13(9-19(3)4)15-17-11(2)14(12-7-5-6-8-12)16(21)20(15)18-10/h12,18H,5-9H2,1-4H3
InChIKeyYCFAKAYTIWSSDZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.36
Rot. Bonds3

About 6-cyclopentyl-3-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-cyclopentyl-3-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82273402) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-cyclopentyl-3-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-cyclopentyl-3-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82273402
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name6-cyclopentyl-3-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(CN(C)C)c(C)[nH]n2c(=O)c1C1CCCC1
InChIInChI=1S/C16H24N4O/c1-10-13(9-19(3)4)15-17-11(2)14(12-7-5-6-8-12)16(21)20(15)18-10/h12,18H,5-9H2,1-4H3
InChIKeyYCFAKAYTIWSSDZ-UHFFFAOYSA-N
XLogP2.36
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-3-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-cyclopentyl-3-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82273402) is 6-cyclopentyl-3-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-cyclopentyl-3-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-cyclopentyl-3-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(CN(C)C)c(C)[nH]n2c(=O)c1C1CCCC1.
What is the InChIKey of 6-cyclopentyl-3-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YCFAKAYTIWSSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-10-13(9-19(3)4)15-17-11(2)14(12-7-5-6-8-12)16(21)20(15)18-10/h12,18H,5-9H2,1-4H3.
What are the key properties of 6-cyclopentyl-3-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-cyclopentyl-3-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 288.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-3-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82273402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).