N-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

C10H14F3N3O — CID 151933544

IUPACN-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESFC(F)(F)Cn1cc(NC2CCOCC2)cn1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)7-16-6-9(5-14-16)15-8-1-3-17-4-2-8/h5-6,8,15H,1-4,7H2
InChIKeySZHOUBKESQXDBY-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.04
Rot. Bonds3

About N-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

N-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (PubChem CID 151933544) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
PubChem CID151933544
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESFC(F)(F)Cn1cc(NC2CCOCC2)cn1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)7-16-6-9(5-14-16)15-8-1-3-17-4-2-8/h5-6,8,15H,1-4,7H2
InChIKeySZHOUBKESQXDBY-UHFFFAOYSA-N
XLogP2.04
TPSA39.08 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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(oxan-4-yl)-1H-pyrazol-4-amine
CID 43608643
1-(oxan-2-yl)-1H-pyrazol-4-amine
CID 83814631
1-(oxan-4-yl)-1H-pyrazol-4-amine hydrochloride
CID 90281334
1-(Oxan-4-yl)-5-(trifluoromethyl)pyrazol-4-amine
CID 134970188
4,4,4-trifluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)butanamide
CID 71810259
1-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]pyrazol-4-amine
CID 99703565
1-(Tetrahydro-2H-pyran-4-YL)-1H-pyrazol-4-amine
CID 51063703
1-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazol-4-amine
CID 61490725
N-(3-methyloxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 68053188
3-N'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-3,3-diamine
CID 68305039
1-(1-Methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine
CID 90240800
1-(2,2-difluoroethyl)-N-(oxan-4-yl)pyrazol-4-amine
CID 115777614

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The IUPAC name of N-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (CID 151933544) is N-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.
What is the SMILES notation for N-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The canonical SMILES for N-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is FC(F)(F)Cn1cc(NC2CCOCC2)cn1.
What is the InChIKey of N-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The InChIKey is SZHOUBKESQXDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)7-16-6-9(5-14-16)15-8-1-3-17-4-2-8/h5-6,8,15H,1-4,7H2.
What are the key properties of N-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
N-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 151933544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).