5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

C8H13F3N4 — CID 60892121

IUPAC5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(N(C)CC(F)(F)F)c1N
InChIInChI=1S/C8H13F3N4/c1-5-6(12)7(15(3)13-5)14(2)4-8(9,10)11/h4,12H2,1-3H3
InChIKeyAJJIJAQJAFDHDL-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.31
Rot. Bonds2

About 5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 60892121) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is 5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID60892121
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(N(C)CC(F)(F)F)c1N
InChIInChI=1S/C8H13F3N4/c1-5-6(12)7(15(3)13-5)14(2)4-8(9,10)11/h4,12H2,1-3H3
InChIKeyAJJIJAQJAFDHDL-UHFFFAOYSA-N
XLogP1.31
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 60892121) is 5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is Cc1nn(C)c(N(C)CC(F)(F)F)c1N.
What is the InChIKey of 5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is AJJIJAQJAFDHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-5-6(12)7(15(3)13-5)14(2)4-8(9,10)11/h4,12H2,1-3H3.
What are the key properties of 5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 222.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 60892121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).