4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine

C12H16F3N5 — CID 104734344

IUPAC4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine
SMILESCC(N)CC(C)Nc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C12H16F3N5/c1-7(16)5-8(2)18-11-9-6-10(12(13,14)15)19-20(9)4-3-17-11/h3-4,6-8H,5,16H2,1-2H3,(H,17,18)
InChIKeyZKYUOOOVYIUCQE-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.29
Rot. Bonds4

About 4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine

4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine (PubChem CID 104734344) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine
PubChem CID104734344
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Name4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine
SMILESCC(N)CC(C)Nc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C12H16F3N5/c1-7(16)5-8(2)18-11-9-6-10(12(13,14)15)19-20(9)4-3-17-11/h3-4,6-8H,5,16H2,1-2H3,(H,17,18)
InChIKeyZKYUOOOVYIUCQE-UHFFFAOYSA-N
XLogP2.29
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine?
The IUPAC name of 4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine (CID 104734344) is 4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine.
What is the SMILES notation for 4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine?
The canonical SMILES for 4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine is CC(N)CC(C)Nc1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of 4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine?
The InChIKey is ZKYUOOOVYIUCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-7(16)5-8(2)18-11-9-6-10(12(13,14)15)19-20(9)4-3-17-11/h3-4,6-8H,5,16H2,1-2H3,(H,17,18).
What are the key properties of 4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine?
4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine has a molecular weight of 287.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine is sourced from PubChem (CID 104734344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).