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

C7H11F3N4 — CID 43554056

IUPAC1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(NCC(F)(F)F)c1N
InChIInChI=1S/C7H11F3N4/c1-4-5(11)6(14(2)13-4)12-3-7(8,9)10/h12H,3,11H2,1-2H3
InChIKeyWYNIETRFDSPRFO-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.28
Rot. Bonds2

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

1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 43554056) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID43554056
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(NCC(F)(F)F)c1N
InChIInChI=1S/C7H11F3N4/c1-4-5(11)6(14(2)13-4)12-3-7(8,9)10/h12H,3,11H2,1-2H3
InChIKeyWYNIETRFDSPRFO-UHFFFAOYSA-N
XLogP1.28
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 43554056) is 1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is Cc1nn(C)c(NCC(F)(F)F)c1N.
What is the InChIKey of 1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is WYNIETRFDSPRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-4-5(11)6(14(2)13-4)12-3-7(8,9)10/h12H,3,11H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 208.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 43554056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).