N-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine

C8H10F3N3O — CID 123252707

IUPACN-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1cc(C(F)(F)F)nn1C1COC1
InChIInChI=1S/C8H10F3N3O/c1-12-7-2-6(8(9,10)11)13-14(7)5-3-15-4-5/h2,5,12H,3-4H2,1H3
InChIKeyOQZNXAXMUYHLIE-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.51
Rot. Bonds2

About N-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine

N-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 123252707) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID123252707
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1cc(C(F)(F)F)nn1C1COC1
InChIInChI=1S/C8H10F3N3O/c1-12-7-2-6(8(9,10)11)13-14(7)5-3-15-4-5/h2,5,12H,3-4H2,1H3
InChIKeyOQZNXAXMUYHLIE-UHFFFAOYSA-N
XLogP1.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of N-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (CID 123252707) is N-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for N-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for N-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is CNc1cc(C(F)(F)F)nn1C1COC1.
What is the InChIKey of N-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is OQZNXAXMUYHLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-12-7-2-6(8(9,10)11)13-14(7)5-3-15-4-5/h2,5,12H,3-4H2,1H3.
What are the key properties of N-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
N-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 221.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 123252707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).