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

C7H7F6N3O — CID 129309697

IUPAC1-methyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazol-4-amine
SMILESCn1nc(C(F)(F)F)c(N)c1OCC(F)(F)F
InChIInChI=1S/C7H7F6N3O/c1-16-5(17-2-6(8,9)10)3(14)4(15-16)7(11,12)13/h2,14H2,1H3
InChIKeyGPLFIJBBQFDVCQ-UHFFFAOYSA-N
MW263.14 g/mol
LogP1.96
Rot. Bonds2

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

1-methyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazol-4-amine (PubChem CID 129309697) has the molecular formula C7H7F6N3O and a molecular weight of 263.14 g/mol. Its IUPAC name is 1-methyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazol-4-amine
PubChem CID129309697
Molecular FormulaC7H7F6N3O
Molecular Weight263.14 g/mol
Exact Mass263.05
IUPAC Name1-methyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazol-4-amine
SMILESCn1nc(C(F)(F)F)c(N)c1OCC(F)(F)F
InChIInChI=1S/C7H7F6N3O/c1-16-5(17-2-6(8,9)10)3(14)4(15-16)7(11,12)13/h2,14H2,1H3
InChIKeyGPLFIJBBQFDVCQ-UHFFFAOYSA-N
XLogP1.96
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-methyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazol-4-amine (CID 129309697) is 1-methyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazol-4-amine is Cn1nc(C(F)(F)F)c(N)c1OCC(F)(F)F.
What is the InChIKey of 1-methyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is GPLFIJBBQFDVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6N3O/c1-16-5(17-2-6(8,9)10)3(14)4(15-16)7(11,12)13/h2,14H2,1H3.
What are the key properties of 1-methyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazol-4-amine?
1-methyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 263.14 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 129309697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).