2-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine

C15H16N4O — CID 104731161

IUPAC2-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCCOc3ccccc3)nccn2n1
InChIInChI=1S/C15H16N4O/c1-12-11-14-15(16-7-9-19(14)18-12)17-8-10-20-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,16,17)
InChIKeyIAHGLUXZMDIIQM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.53
Rot. Bonds5

About 2-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine

2-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731161) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731161
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCCOc3ccccc3)nccn2n1
InChIInChI=1S/C15H16N4O/c1-12-11-14-15(16-7-9-19(14)18-12)17-8-10-20-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,16,17)
InChIKeyIAHGLUXZMDIIQM-UHFFFAOYSA-N
XLogP2.53
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.53
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-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104731161) is 2-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NCCOc3ccccc3)nccn2n1.
What is the InChIKey of 2-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is IAHGLUXZMDIIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-12-11-14-15(16-7-9-19(14)18-12)17-8-10-20-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,16,17).
What are the key properties of 2-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine?
2-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).