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

C8H12F3N3O — CID 19620727

IUPAC3,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine
SMILESCc1nn(COCC(F)(F)F)c(C)c1N
InChIInChI=1S/C8H12F3N3O/c1-5-7(12)6(2)14(13-5)4-15-3-8(9,10)11/h3-4,12H2,1-2H3
InChIKeyNGZBNQRNZTWPNW-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.62
Rot. Bonds3

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

3,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine (PubChem CID 19620727) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine
PubChem CID19620727
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name3,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine
SMILESCc1nn(COCC(F)(F)F)c(C)c1N
InChIInChI=1S/C8H12F3N3O/c1-5-7(12)6(2)14(13-5)4-15-3-8(9,10)11/h3-4,12H2,1-2H3
InChIKeyNGZBNQRNZTWPNW-UHFFFAOYSA-N
XLogP1.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine (CID 19620727) is 3,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine is Cc1nn(COCC(F)(F)F)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine?
The InChIKey is NGZBNQRNZTWPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-5-7(12)6(2)14(13-5)4-15-3-8(9,10)11/h3-4,12H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine?
3,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine has a molecular weight of 223.20 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-amine is sourced from PubChem (CID 19620727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).