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

C10H11F3N4 — CID 104731975

IUPACN-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)CCCNc1nccn2nccc12
InChIInChI=1S/C10H11F3N4/c11-10(12,13)3-1-4-14-9-8-2-5-16-17(8)7-6-15-9/h2,5-7H,1,3-4H2,(H,14,15)
InChIKeyRIJQDSPQGKGIPY-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.48
Rot. Bonds4

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

N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731975) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731975
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC NameN-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)CCCNc1nccn2nccc12
InChIInChI=1S/C10H11F3N4/c11-10(12,13)3-1-4-14-9-8-2-5-16-17(8)7-6-15-9/h2,5-7H,1,3-4H2,(H,14,15)
InChIKeyRIJQDSPQGKGIPY-UHFFFAOYSA-N
XLogP2.48
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104731975) is N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine is FC(F)(F)CCCNc1nccn2nccc12.
What is the InChIKey of N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is RIJQDSPQGKGIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c11-10(12,13)3-1-4-14-9-8-2-5-16-17(8)7-6-15-9/h2,5-7H,1,3-4H2,(H,14,15).
What are the key properties of N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 244.22 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).