N-(3-ethoxypropyl)-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C23H23FN4O — CID 3230007

IUPACN-(3-ethoxypropyl)-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCOCCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C23H23FN4O/c1-2-29-14-6-13-25-22-15-20(17-7-4-3-5-8-17)26-23-16-21(27-28(22)23)18-9-11-19(24)12-10-18/h3-5,7-12,15-16,25H,2,6,13-14H2,1H3
InChIKeyRDQGPXKSXNILRA-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.04
Rot. Bonds8

About N-(3-ethoxypropyl)-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-(3-ethoxypropyl)-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3230007) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3230007
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC NameN-(3-ethoxypropyl)-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCOCCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C23H23FN4O/c1-2-29-14-6-13-25-22-15-20(17-7-4-3-5-8-17)26-23-16-21(27-28(22)23)18-9-11-19(24)12-10-18/h3-5,7-12,15-16,25H,2,6,13-14H2,1H3
InChIKeyRDQGPXKSXNILRA-UHFFFAOYSA-N
XLogP5.04
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.04
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 N-(3-ethoxypropyl)-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3230007) is N-(3-ethoxypropyl)-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CCOCCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12.
What is the InChIKey of N-(3-ethoxypropyl)-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RDQGPXKSXNILRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-2-29-14-6-13-25-22-15-20(17-7-4-3-5-8-17)26-23-16-21(27-28(22)23)18-9-11-19(24)12-10-18/h3-5,7-12,15-16,25H,2,6,13-14H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(3-ethoxypropyl)-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 390.46 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3230007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).