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

C12H15F3N4 — CID 104731976

IUPAC2-methyl-N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCCCCC(F)(F)F)nccn2n1
InChIInChI=1S/C12H15F3N4/c1-9-8-10-11(17-6-7-19(10)18-9)16-5-3-2-4-12(13,14)15/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyIZYXVXMBPKIKIV-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.18
Rot. Bonds5

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

2-methyl-N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731976) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-methyl-N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731976
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name2-methyl-N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCCCCC(F)(F)F)nccn2n1
InChIInChI=1S/C12H15F3N4/c1-9-8-10-11(17-6-7-19(10)18-9)16-5-3-2-4-12(13,14)15/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyIZYXVXMBPKIKIV-UHFFFAOYSA-N
XLogP3.18
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-methyl-N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104731976) is 2-methyl-N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-methyl-N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-methyl-N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NCCCCC(F)(F)F)nccn2n1.
What is the InChIKey of 2-methyl-N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is IZYXVXMBPKIKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-9-8-10-11(17-6-7-19(10)18-9)16-5-3-2-4-12(13,14)15/h6-8H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-methyl-N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine?
2-methyl-N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 272.27 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).