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

C12H16F3N5 — CID 104730897

IUPAC2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
SMILESCC(CNc1nccn2nc(C(F)(F)F)cc12)N(C)C
InChIInChI=1S/C12H16F3N5/c1-8(19(2)3)7-17-11-9-6-10(12(13,14)15)18-20(9)5-4-16-11/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeyGAYYOELSTMMHSW-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.11
Rot. Bonds4

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

2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine (PubChem CID 104730897) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
PubChem CID104730897
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Name2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
SMILESCC(CNc1nccn2nc(C(F)(F)F)cc12)N(C)C
InChIInChI=1S/C12H16F3N5/c1-8(19(2)3)7-17-11-9-6-10(12(13,14)15)18-20(9)5-4-16-11/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeyGAYYOELSTMMHSW-UHFFFAOYSA-N
XLogP2.11
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731373
2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine
CID 104734259
N-(4-chloro-2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104734018
1-N,1-N-dimethyl-2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
CID 104732002
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934
2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730378
2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446406
N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine
CID 104731247
N-(5-methylhexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731951
N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730626
N,N-dimethyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanamide
CID 104731044
N'-cyclopropyl-N'-methyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine
CID 104731399

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine (CID 104730897) is 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine is CC(CNc1nccn2nc(C(F)(F)F)cc12)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine?
The InChIKey is GAYYOELSTMMHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-8(19(2)3)7-17-11-9-6-10(12(13,14)15)18-20(9)5-4-16-11/h4-6,8H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine?
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine has a molecular weight of 287.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine is sourced from PubChem (CID 104730897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).