2-(3-fluorophenyl)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine

C20H24FN5 — CID 56668459

IUPAC2-(3-fluorophenyl)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCN2CCCC2)n2nc(-c3cccc(F)c3)cc2n1
InChIInChI=1S/C20H24FN5/c1-15-12-19(22-8-5-11-25-9-2-3-10-25)26-20(23-15)14-18(24-26)16-6-4-7-17(21)13-16/h4,6-7,12-14,22H,2-3,5,8-11H2,1H3
InChIKeyPTQAZVYHRRQYSW-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.74
Rot. Bonds6

About 2-(3-fluorophenyl)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine

2-(3-fluorophenyl)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56668459) has the molecular formula C20H24FN5 and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56668459
Molecular FormulaC20H24FN5
Molecular Weight353.45 g/mol
Exact Mass353.20
IUPAC Name2-(3-fluorophenyl)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCN2CCCC2)n2nc(-c3cccc(F)c3)cc2n1
InChIInChI=1S/C20H24FN5/c1-15-12-19(22-8-5-11-25-9-2-3-10-25)26-20(23-15)14-18(24-26)16-6-4-7-17(21)13-16/h4,6-7,12-14,22H,2-3,5,8-11H2,1H3
InChIKeyPTQAZVYHRRQYSW-UHFFFAOYSA-N
XLogP3.74
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.74
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 2-(3-fluorophenyl)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(3-fluorophenyl)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 56668459) is 2-(3-fluorophenyl)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(3-fluorophenyl)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCCN2CCCC2)n2nc(-c3cccc(F)c3)cc2n1.
What is the InChIKey of 2-(3-fluorophenyl)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PTQAZVYHRRQYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5/c1-15-12-19(22-8-5-11-25-9-2-3-10-25)26-20(23-15)14-18(24-26)16-6-4-7-17(21)13-16/h4,6-7,12-14,22H,2-3,5,8-11H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
2-(3-fluorophenyl)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 353.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56668459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).