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

C17H20N4O — CID 82273400

IUPAC3-[(dimethylamino)methyl]-2,5-dimethyl-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(CN(C)C)c(C)[nH]n2c(=O)c1-c1ccccc1
InChIInChI=1S/C17H20N4O/c1-11-14(10-20(3)4)16-18-12(2)15(17(22)21(16)19-11)13-8-6-5-7-9-13/h5-9,19H,10H2,1-4H3
InChIKeyPFUBSLYQSXHRRO-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.37
Rot. Bonds3

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

3-[(dimethylamino)methyl]-2,5-dimethyl-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82273400) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-2,5-dimethyl-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-2,5-dimethyl-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82273400
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-[(dimethylamino)methyl]-2,5-dimethyl-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(CN(C)C)c(C)[nH]n2c(=O)c1-c1ccccc1
InChIInChI=1S/C17H20N4O/c1-11-14(10-20(3)4)16-18-12(2)15(17(22)21(16)19-11)13-8-6-5-7-9-13/h5-9,19H,10H2,1-4H3
InChIKeyPFUBSLYQSXHRRO-UHFFFAOYSA-N
XLogP2.37
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-2,5-dimethyl-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[(dimethylamino)methyl]-2,5-dimethyl-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82273400) is 3-[(dimethylamino)methyl]-2,5-dimethyl-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[(dimethylamino)methyl]-2,5-dimethyl-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[(dimethylamino)methyl]-2,5-dimethyl-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(CN(C)C)c(C)[nH]n2c(=O)c1-c1ccccc1.
What is the InChIKey of 3-[(dimethylamino)methyl]-2,5-dimethyl-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PFUBSLYQSXHRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11-14(10-20(3)4)16-18-12(2)15(17(22)21(16)19-11)13-8-6-5-7-9-13/h5-9,19H,10H2,1-4H3.
What are the key properties of 3-[(dimethylamino)methyl]-2,5-dimethyl-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-[(dimethylamino)methyl]-2,5-dimethyl-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 296.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-2,5-dimethyl-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82273400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).