2-(3-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C21H19FN4O — CID 3230053

IUPAC2-(3-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCNc1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn12
InChIInChI=1S/C21H19FN4O/c1-27-11-10-23-20-13-18(15-6-3-2-4-7-15)24-21-14-19(25-26(20)21)16-8-5-9-17(22)12-16/h2-9,12-14,23H,10-11H2,1H3
InChIKeyCRMASILNQGMLHL-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.26
Rot. Bonds6

About 2-(3-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

2-(3-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3230053) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3230053
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name2-(3-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCNc1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn12
InChIInChI=1S/C21H19FN4O/c1-27-11-10-23-20-13-18(15-6-3-2-4-7-15)24-21-14-19(25-26(20)21)16-8-5-9-17(22)12-16/h2-9,12-14,23H,10-11H2,1H3
InChIKeyCRMASILNQGMLHL-UHFFFAOYSA-N
XLogP4.26
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.26
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)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3230053) is 2-(3-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(3-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is COCCNc1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn12.
What is the InChIKey of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CRMASILNQGMLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-27-11-10-23-20-13-18(15-6-3-2-4-7-15)24-21-14-19(25-26(20)21)16-8-5-9-17(22)12-16/h2-9,12-14,23H,10-11H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
2-(3-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 362.41 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(2-methoxyethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3230053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).