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

C7H10F3N3O — CID 50896534

IUPAC1,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine
SMILESCC1=C(C(=NN1C)OCC(F)(F)F)N
InChIInChI=1S/C7H10F3N3O/c1-4-5(11)6(12-13(4)2)14-3-7(8,9)10/h3,11H2,1-2H3
InChIKeyIENMWGAOPDDHQC-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.40
Rot. Bonds2

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

1,5-dimethyl-3-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine (PubChem CID 50896534) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 1,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine.

Molecular Properties

Compound Name1,5-dimethyl-3-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine
PubChem CID50896534
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name1,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine
SMILESCC1=C(C(=NN1C)OCC(F)(F)F)N
InChIInChI=1S/C7H10F3N3O/c1-4-5(11)6(12-13(4)2)14-3-7(8,9)10/h3,11H2,1-2H3
InChIKeyIENMWGAOPDDHQC-UHFFFAOYSA-N
XLogP1.40
TPSA53.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity199

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-1,3-dimethyl-1H-pyrazol-4-amine
CID 43554365
1,3-dimethyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]oxazine
CID 71755951
3-Methoxy-1,5-dimethyl-1H-pyrazol-4-amine hydrochloride
CID 50998523
5-ethoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 12086302
1-Ethyl-5-methoxy-3-(trifluoromethyl)pyrazol-4-amine
CID 19080759
1,4-dimethyl-5-(2,2-difluoroethoxy)-3-trifluoromethyl-1H-pyrazole
CID 23075685
1,4-dimethyl-5-(2,2,2-trifluoroethoxy)-3-trifluoromethyl-1H-pyrazole
CID 23075687
1,4-dimethyl-3-(2,2,2-trifluoro-ethoxy)-5-trifluoromethyl-1H-pyrazole
CID 57574550
1,3,4-Trimethyl-5-(2,2,2-trifluoroethoxy)pyrazole
CID 58241684
5-Ethoxy-1,4-dimethyl-3-(trifluoromethyl)pyrazole
CID 70865791
5-Ethoxy-1-methyl-3-(trifluoromethyl)pyrazol-4-amine
CID 71176905
5-(2,2-Difluoroethoxy)-1,3,4-trimethylpyrazole
CID 89341936

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine?
The IUPAC name of 1,5-dimethyl-3-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine (CID 50896534) is 1,5-dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-4-amine.
What is the SMILES notation for 1,5-dimethyl-3-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine?
The canonical SMILES for 1,5-dimethyl-3-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine is CC1=C(C(=NN1C)OCC(F)(F)F)N.
What is the InChIKey of 1,5-dimethyl-3-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine?
The InChIKey is IENMWGAOPDDHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-4-5(11)6(12-13(4)2)14-3-7(8,9)10/h3,11H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine?
1,5-dimethyl-3-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine has a molecular weight of 209.17 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine is sourced from PubChem (CID 50896534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).