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

C7H10F3N3O — CID 170573345

IUPACN,1-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine
SMILESCNc1cn(C)nc1OCC(F)(F)F
InChIInChI=1S/C7H10F3N3O/c1-11-5-3-13(2)12-6(5)14-4-7(8,9)10/h3,11H,4H2,1-2H3
InChIKeyJLNMEFYUVJTWFP-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.40
Rot. Bonds3

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

N,1-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine (PubChem CID 170573345) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is N,1-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine
PubChem CID170573345
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC NameN,1-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine
SMILESCNc1cn(C)nc1OCC(F)(F)F
InChIInChI=1S/C7H10F3N3O/c1-11-5-3-13(2)12-6(5)14-4-7(8,9)10/h3,11H,4H2,1-2H3
InChIKeyJLNMEFYUVJTWFP-UHFFFAOYSA-N
XLogP1.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine?
The IUPAC name of N,1-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine (CID 170573345) is N,1-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine.
What is the SMILES notation for N,1-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine?
The canonical SMILES for N,1-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine is CNc1cn(C)nc1OCC(F)(F)F.
What is the InChIKey of N,1-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine?
The InChIKey is JLNMEFYUVJTWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-11-5-3-13(2)12-6(5)14-4-7(8,9)10/h3,11H,4H2,1-2H3.
What are the key properties of N,1-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine?
N,1-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine has a molecular weight of 209.17 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine is sourced from PubChem (CID 170573345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).