N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

C9H12F3N3O — CID 115881299

IUPACN-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESFC(F)(F)Cn1cc(NC2CCOC2)cn1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)6-15-4-8(3-13-15)14-7-1-2-16-5-7/h3-4,7,14H,1-2,5-6H2
InChIKeyKOUPYVZPIWNNLE-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.65
Rot. Bonds3

About N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine

N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (PubChem CID 115881299) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
PubChem CID115881299
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
SMILESFC(F)(F)Cn1cc(NC2CCOC2)cn1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)6-15-4-8(3-13-15)14-7-1-2-16-5-7/h3-4,7,14H,1-2,5-6H2
InChIKeyKOUPYVZPIWNNLE-UHFFFAOYSA-N
XLogP1.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The IUPAC name of N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine (CID 115881299) is N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine.
What is the SMILES notation for N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The canonical SMILES for N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is FC(F)(F)Cn1cc(NC2CCOC2)cn1.
What is the InChIKey of N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
The InChIKey is KOUPYVZPIWNNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)6-15-4-8(3-13-15)14-7-1-2-16-5-7/h3-4,7,14H,1-2,5-6H2.
What are the key properties of N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine?
N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine has a molecular weight of 235.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine is sourced from PubChem (CID 115881299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).