1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine

C7H10F3N3O — CID 118365625

IUPAC1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESCOCCn1ncc(N)c1C(F)(F)F
InChIInChI=1S/C7H10F3N3O/c1-14-3-2-13-6(7(8,9)10)5(11)4-12-13/h4H,2-3,11H2,1H3
InChIKeyHGXDWIPVVRJWRZ-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.13
Rot. Bonds3

About 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine

1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine (PubChem CID 118365625) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine
PubChem CID118365625
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine
SMILESCOCCn1ncc(N)c1C(F)(F)F
InChIInChI=1S/C7H10F3N3O/c1-14-3-2-13-6(7(8,9)10)5(11)4-12-13/h4H,2-3,11H2,1H3
InChIKeyHGXDWIPVVRJWRZ-UHFFFAOYSA-N
XLogP1.13
TPSA53.07 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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-fluoro-3-methylbutan-1-amine
CID 114667857
chloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine
CID 159662836
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol
CID 114637006
1-amino-2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3-dimethylbutan-2-ol
CID 114637806
6-[1-(2-methoxyethyl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093913
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-one
CID 114668734
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-methylphenyl)ethanol
CID 114633334
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine
CID 105205931
1-(2-ethoxyethyl)-5-methylpyrazol-4-amine
CID 165473067
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,4-dimethylphenyl)ethanol
CID 114633788
1-(tert-butylamino)-2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]propan-2-ol
CID 114666096
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(1-methylcyclopropyl)ethanol
CID 114637042

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine (CID 118365625) is 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine is COCCn1ncc(N)c1C(F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is HGXDWIPVVRJWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-14-3-2-13-6(7(8,9)10)5(11)4-12-13/h4H,2-3,11H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine?
1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 209.17 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 118365625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).