1-(3-ethoxycyclobutyl)-3-(trifluoromethyl)pyrazol-4-amine

C10H14F3N3O — CID 122638647

IUPAC1-(3-ethoxycyclobutyl)-3-(trifluoromethyl)pyrazol-4-amine
SMILESCCOC1CC(n2cc(N)c(C(F)(F)F)n2)C1
InChIInChI=1S/C10H14F3N3O/c1-2-17-7-3-6(4-7)16-5-8(14)9(15-16)10(11,12)13/h5-7H,2-4,14H2,1H3
InChIKeyXYRZWDBWAZWDKX-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.22
Rot. Bonds3

About 1-(3-ethoxycyclobutyl)-3-(trifluoromethyl)pyrazol-4-amine

1-(3-ethoxycyclobutyl)-3-(trifluoromethyl)pyrazol-4-amine (PubChem CID 122638647) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-3-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-3-(trifluoromethyl)pyrazol-4-amine
PubChem CID122638647
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-(3-ethoxycyclobutyl)-3-(trifluoromethyl)pyrazol-4-amine
SMILESCCOC1CC(n2cc(N)c(C(F)(F)F)n2)C1
InChIInChI=1S/C10H14F3N3O/c1-2-17-7-3-6(4-7)16-5-8(14)9(15-16)10(11,12)13/h5-7H,2-4,14H2,1H3
InChIKeyXYRZWDBWAZWDKX-UHFFFAOYSA-N
XLogP2.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-3-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-3-(trifluoromethyl)pyrazol-4-amine (CID 122638647) is 1-(3-ethoxycyclobutyl)-3-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-3-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-3-(trifluoromethyl)pyrazol-4-amine is CCOC1CC(n2cc(N)c(C(F)(F)F)n2)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-3-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is XYRZWDBWAZWDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-2-17-7-3-6(4-7)16-5-8(14)9(15-16)10(11,12)13/h5-7H,2-4,14H2,1H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-3-(trifluoromethyl)pyrazol-4-amine?
1-(3-ethoxycyclobutyl)-3-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-3-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 122638647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).