4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine

C6H9F3N4 — CID 114988224

IUPAC4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine
SMILESCN(CC(F)(F)F)c1cn[nH]c1N
InChIInChI=1S/C6H9F3N4/c1-13(3-6(7,8)9)4-2-11-12-5(4)10/h2H,3H2,1H3,(H3,10,11,12)
InChIKeyJDIUARPDWNZZJF-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.99
Rot. Bonds2

About 4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine

4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine (PubChem CID 114988224) has the molecular formula C6H9F3N4 and a molecular weight of 194.16 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine
PubChem CID114988224
Molecular FormulaC6H9F3N4
Molecular Weight194.16 g/mol
Exact Mass194.08
IUPAC Name4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine
SMILESCN(CC(F)(F)F)c1cn[nH]c1N
InChIInChI=1S/C6H9F3N4/c1-13(3-6(7,8)9)4-2-11-12-5(4)10/h2H,3H2,1H3,(H3,10,11,12)
InChIKeyJDIUARPDWNZZJF-UHFFFAOYSA-N
XLogP0.99
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine (CID 114988224) is 4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine is CN(CC(F)(F)F)c1cn[nH]c1N.
What is the InChIKey of 4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine?
The InChIKey is JDIUARPDWNZZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4/c1-13(3-6(7,8)9)4-2-11-12-5(4)10/h2H,3H2,1H3,(H3,10,11,12).
What are the key properties of 4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine?
4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine has a molecular weight of 194.16 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 114988224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).