1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine

C7H10F3N3O — CID 43554363

IUPAC1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine
SMILESCc1nn(C)c(OCC(F)(F)F)c1N
InChIInChI=1S/C7H10F3N3O/c1-4-5(11)6(13(2)12-4)14-3-7(8,9)10/h3,11H2,1-2H3
InChIKeySNYHLEHQYZLRIG-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.25
Rot. Bonds2

About 1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine

1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine (PubChem CID 43554363) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine
PubChem CID43554363
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine
SMILESCc1nn(C)c(OCC(F)(F)F)c1N
InChIInChI=1S/C7H10F3N3O/c1-4-5(11)6(13(2)12-4)14-3-7(8,9)10/h3,11H2,1-2H3
InChIKeySNYHLEHQYZLRIG-UHFFFAOYSA-N
XLogP1.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine (CID 43554363) is 1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine is Cc1nn(C)c(OCC(F)(F)F)c1N.
What is the InChIKey of 1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine?
The InChIKey is SNYHLEHQYZLRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-4-5(11)6(13(2)12-4)14-3-7(8,9)10/h3,11H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine?
1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine has a molecular weight of 209.17 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-amine is sourced from PubChem (CID 43554363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).