2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine

C16H18N4O — CID 104731310

IUPAC2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCCCOc3ccccc3)nccn2n1
InChIInChI=1S/C16H18N4O/c1-13-12-15-16(18-9-10-20(15)19-13)17-8-5-11-21-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,17,18)
InChIKeyGHLUVCRDPVVBFX-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.92
Rot. Bonds6

About 2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine

2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731310) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731310
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCCCOc3ccccc3)nccn2n1
InChIInChI=1S/C16H18N4O/c1-13-12-15-16(18-9-10-20(15)19-13)17-8-5-11-21-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,17,18)
InChIKeyGHLUVCRDPVVBFX-UHFFFAOYSA-N
XLogP2.92
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.92
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-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104731310) is 2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NCCCOc3ccccc3)nccn2n1.
What is the InChIKey of 2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is GHLUVCRDPVVBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-13-12-15-16(18-9-10-20(15)19-13)17-8-5-11-21-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,17,18).
What are the key properties of 2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine?
2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenoxypropyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).