N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrazin-4-amine

C9H9F3N4 — CID 104731421

IUPACN-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)CCNc1nccn2nccc12
InChIInChI=1S/C9H9F3N4/c10-9(11,12)2-4-13-8-7-1-3-15-16(7)6-5-14-8/h1,3,5-6H,2,4H2,(H,13,14)
InChIKeyBJJLTHBZBSXOMT-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.09
Rot. Bonds3

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

N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731421) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731421
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC NameN-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)CCNc1nccn2nccc12
InChIInChI=1S/C9H9F3N4/c10-9(11,12)2-4-13-8-7-1-3-15-16(7)6-5-14-8/h1,3,5-6H,2,4H2,(H,13,14)
InChIKeyBJJLTHBZBSXOMT-UHFFFAOYSA-N
XLogP2.09
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104731421) is N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrazin-4-amine is FC(F)(F)CCNc1nccn2nccc12.
What is the InChIKey of N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is BJJLTHBZBSXOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c10-9(11,12)2-4-13-8-7-1-3-15-16(7)6-5-14-8/h1,3,5-6H,2,4H2,(H,13,14).
What are the key properties of N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 230.19 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).