2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine

C11H14F3N5 — CID 104734259

IUPAC2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine
SMILESCC(CN)CNc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C11H14F3N5/c1-7(5-15)6-17-10-8-4-9(11(12,13)14)18-19(8)3-2-16-10/h2-4,7H,5-6,15H2,1H3,(H,16,17)
InChIKeyNYAQRFHWFGZPBV-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.75
Rot. Bonds4

About 2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine

2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine (PubChem CID 104734259) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine
PubChem CID104734259
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine
SMILESCC(CN)CNc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C11H14F3N5/c1-7(5-15)6-17-10-8-4-9(11(12,13)14)18-19(8)3-2-16-10/h2-4,7H,5-6,15H2,1H3,(H,16,17)
InChIKeyNYAQRFHWFGZPBV-UHFFFAOYSA-N
XLogP1.75
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731373
N-(4-chloro-2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104734018
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
CID 104730897
2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733993
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-(5-methylhexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731951
4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine
CID 104734344
N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730626
1-N,1-N-dimethyl-2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
CID 104732002
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731532

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine?
The IUPAC name of 2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine (CID 104734259) is 2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine?
The canonical SMILES for 2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine is CC(CN)CNc1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of 2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine?
The InChIKey is NYAQRFHWFGZPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-7(5-15)6-17-10-8-4-9(11(12,13)14)18-19(8)3-2-16-10/h2-4,7H,5-6,15H2,1H3,(H,16,17).
What are the key properties of 2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine?
2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine has a molecular weight of 273.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 104734259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).