1-ethyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine

C8H12F3N3O — CID 86207946

IUPAC1-ethyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine
SMILESCCn1cc(N)c(OCCC(F)(F)F)n1
InChIInChI=1S/C8H12F3N3O/c1-2-14-5-6(12)7(13-14)15-4-3-8(9,10)11/h5H,2-4,12H2,1H3
InChIKeyVEELTQDIWCZBGW-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.82
Rot. Bonds4

About 1-ethyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine

1-ethyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine (PubChem CID 86207946) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-ethyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine
PubChem CID86207946
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1-ethyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine
SMILESCCn1cc(N)c(OCCC(F)(F)F)n1
InChIInChI=1S/C8H12F3N3O/c1-2-14-5-6(12)7(13-14)15-4-3-8(9,10)11/h5H,2-4,12H2,1H3
InChIKeyVEELTQDIWCZBGW-UHFFFAOYSA-N
XLogP1.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine (CID 86207946) is 1-ethyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine is CCn1cc(N)c(OCCC(F)(F)F)n1.
What is the InChIKey of 1-ethyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine?
The InChIKey is VEELTQDIWCZBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-2-14-5-6(12)7(13-14)15-4-3-8(9,10)11/h5H,2-4,12H2,1H3.
What are the key properties of 1-ethyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine?
1-ethyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine has a molecular weight of 223.20 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3,3,3-trifluoropropoxy)pyrazol-4-amine is sourced from PubChem (CID 86207946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).