2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C18H21FN4O — CID 3231326

IUPAC2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nn2c(NCCOC)cc(C)nc2c1-c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O/c1-4-15-17(13-5-7-14(19)8-6-13)18-21-12(2)11-16(23(18)22-15)20-9-10-24-3/h5-8,11,20H,4,9-10H2,1-3H3
InChIKeySKZHLQCZTJJVIQ-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.46
Rot. Bonds6

About 2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3231326) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3231326
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nn2c(NCCOC)cc(C)nc2c1-c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O/c1-4-15-17(13-5-7-14(19)8-6-13)18-21-12(2)11-16(23(18)22-15)20-9-10-24-3/h5-8,11,20H,4,9-10H2,1-3H3
InChIKeySKZHLQCZTJJVIQ-UHFFFAOYSA-N
XLogP3.46
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.46
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-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3231326) is 2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1nn2c(NCCOC)cc(C)nc2c1-c1ccc(F)cc1.
What is the InChIKey of 2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SKZHLQCZTJJVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-4-15-17(13-5-7-14(19)8-6-13)18-21-12(2)11-16(23(18)22-15)20-9-10-24-3/h5-8,11,20H,4,9-10H2,1-3H3.
What are the key properties of 2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 328.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3231326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).