1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one

C20H23N5O — CID 56884537

IUPAC1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1cc2nc(-c3ccccc3)cc(NCCCN3CCCC3=O)n2n1
InChIInChI=1S/C20H23N5O/c1-15-13-19-22-17(16-7-3-2-4-8-16)14-18(25(19)23-15)21-10-6-12-24-11-5-9-20(24)26/h2-4,7-8,13-14,21H,5-6,9-12H2,1H3
InChIKeyTVBJUJMYBSOAIG-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.13
Rot. Bonds6

About 1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one

1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 56884537) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one
PubChem CID56884537
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1cc2nc(-c3ccccc3)cc(NCCCN3CCCC3=O)n2n1
InChIInChI=1S/C20H23N5O/c1-15-13-19-22-17(16-7-3-2-4-8-16)14-18(25(19)23-15)21-10-6-12-24-11-5-9-20(24)26/h2-4,7-8,13-14,21H,5-6,9-12H2,1H3
InChIKeyTVBJUJMYBSOAIG-UHFFFAOYSA-N
XLogP3.13
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one (CID 56884537) is 1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one is Cc1cc2nc(-c3ccccc3)cc(NCCCN3CCCC3=O)n2n1.
What is the InChIKey of 1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is TVBJUJMYBSOAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-13-19-22-17(16-7-3-2-4-8-16)14-18(25(19)23-15)21-10-6-12-24-11-5-9-20(24)26/h2-4,7-8,13-14,21H,5-6,9-12H2,1H3.
What are the key properties of 1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one?
1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 349.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 56884537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).