1-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine

C6H8F3N3O — CID 66509586

IUPAC1-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine
SMILESCn1cc(N)c(OCC(F)(F)F)n1
InChIInChI=1S/C6H8F3N3O/c1-12-2-4(10)5(11-12)13-3-6(7,8)9/h2H,3,10H2,1H3
InChIKeyOXCXHOGQNGPNFK-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.94
Rot. Bonds2

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

1-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine (PubChem CID 66509586) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 1-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine
PubChem CID66509586
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name1-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine
SMILESCn1cc(N)c(OCC(F)(F)F)n1
InChIInChI=1S/C6H8F3N3O/c1-12-2-4(10)5(11-12)13-3-6(7,8)9/h2H,3,10H2,1H3
InChIKeyOXCXHOGQNGPNFK-UHFFFAOYSA-N
XLogP0.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine?
The IUPAC name of 1-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine (CID 66509586) is 1-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine is Cn1cc(N)c(OCC(F)(F)F)n1.
What is the InChIKey of 1-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine?
The InChIKey is OXCXHOGQNGPNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c1-12-2-4(10)5(11-12)13-3-6(7,8)9/h2H,3,10H2,1H3.
What are the key properties of 1-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine?
1-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine has a molecular weight of 195.14 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine is sourced from PubChem (CID 66509586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).