2-[4-(2-methylpropyl)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine

C24H26N4O — CID 46942991

IUPAC2-[4-(2-methylpropyl)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(C)Cc1ccc(-c2cc3nc(NCCOc4ccccc4)ccn3n2)cc1
InChIInChI=1S/C24H26N4O/c1-18(2)16-19-8-10-20(11-9-19)22-17-24-26-23(12-14-28(24)27-22)25-13-15-29-21-6-4-3-5-7-21/h3-12,14,17-18H,13,15-16H2,1-2H3,(H,25,26)
InChIKeyVOENLJGERVKCTL-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.09
Rot. Bonds8

About 2-[4-(2-methylpropyl)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine

2-[4-(2-methylpropyl)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 46942991) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID46942991
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-[4-(2-methylpropyl)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(C)Cc1ccc(-c2cc3nc(NCCOc4ccccc4)ccn3n2)cc1
InChIInChI=1S/C24H26N4O/c1-18(2)16-19-8-10-20(11-9-19)22-17-24-26-23(12-14-28(24)27-22)25-13-15-29-21-6-4-3-5-7-21/h3-12,14,17-18H,13,15-16H2,1-2H3,(H,25,26)
InChIKeyVOENLJGERVKCTL-UHFFFAOYSA-N
XLogP5.09
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.09
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-[4-(2-methylpropyl)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 46942991) is 2-[4-(2-methylpropyl)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine is CC(C)Cc1ccc(-c2cc3nc(NCCOc4ccccc4)ccn3n2)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is VOENLJGERVKCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18(2)16-19-8-10-20(11-9-19)22-17-24-26-23(12-14-28(24)27-22)25-13-15-29-21-6-4-3-5-7-21/h3-12,14,17-18H,13,15-16H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
2-[4-(2-methylpropyl)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 386.50 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 46942991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).