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

C12H14F3N5 — CID 104732485

IUPAC1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclopentane-1,2-diamine
SMILESNC1CCCC1Nc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C12H14F3N5/c13-12(14,15)10-6-9-11(17-4-5-20(9)19-10)18-8-3-1-2-7(8)16/h4-8H,1-3,16H2,(H,17,18)
InChIKeyFCLBVXQISKZRAJ-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.04
Rot. Bonds2

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

1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclopentane-1,2-diamine (PubChem CID 104732485) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclopentane-1,2-diamine
PubChem CID104732485
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclopentane-1,2-diamine
SMILESNC1CCCC1Nc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C12H14F3N5/c13-12(14,15)10-6-9-11(17-4-5-20(9)19-10)18-8-3-1-2-7(8)16/h4-8H,1-3,16H2,(H,17,18)
InChIKeyFCLBVXQISKZRAJ-UHFFFAOYSA-N
XLogP2.04
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclopentane-1,2-diamine?
The IUPAC name of 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclopentane-1,2-diamine (CID 104732485) is 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclopentane-1,2-diamine is NC1CCCC1Nc1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclopentane-1,2-diamine?
The InChIKey is FCLBVXQISKZRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c13-12(14,15)10-6-9-11(17-4-5-20(9)19-10)18-8-3-1-2-7(8)16/h4-8H,1-3,16H2,(H,17,18).
What are the key properties of 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclopentane-1,2-diamine?
1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclopentane-1,2-diamine has a molecular weight of 285.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclopentane-1,2-diamine is sourced from PubChem (CID 104732485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).