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

C11H13F3N4 — CID 104731978

IUPACN-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)CCCCNc1nccn2nccc12
InChIInChI=1S/C11H13F3N4/c12-11(13,14)4-1-2-5-15-10-9-3-6-17-18(9)8-7-16-10/h3,6-8H,1-2,4-5H2,(H,15,16)
InChIKeyMNBNMTPRJUITPQ-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.87
Rot. Bonds5

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

N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731978) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731978
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC NameN-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)CCCCNc1nccn2nccc12
InChIInChI=1S/C11H13F3N4/c12-11(13,14)4-1-2-5-15-10-9-3-6-17-18(9)8-7-16-10/h3,6-8H,1-2,4-5H2,(H,15,16)
InChIKeyMNBNMTPRJUITPQ-UHFFFAOYSA-N
XLogP2.87
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.87
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 N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104731978) is N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine is FC(F)(F)CCCCNc1nccn2nccc12.
What is the InChIKey of N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is MNBNMTPRJUITPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c12-11(13,14)4-1-2-5-15-10-9-3-6-17-18(9)8-7-16-10/h3,6-8H,1-2,4-5H2,(H,15,16).
What are the key properties of N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 258.25 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).