1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine

C10H14F3N3O — CID 157041934

IUPAC1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine
SMILESNc1cc(C(F)(F)F)n(CC2CCOCC2)n1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)8-5-9(14)15-16(8)6-7-1-3-17-4-2-7/h5,7H,1-4,6H2,(H2,14,15)
InChIKeyAXHWAGKGQBWPDQ-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.91
Rot. Bonds2

About 1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine

1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 157041934) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID157041934
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine
SMILESNc1cc(C(F)(F)F)n(CC2CCOCC2)n1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)8-5-9(14)15-16(8)6-7-1-3-17-4-2-7/h5,7H,1-4,6H2,(H2,14,15)
InChIKeyAXHWAGKGQBWPDQ-UHFFFAOYSA-N
XLogP1.91
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of 1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine (CID 157041934) is 1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for 1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine is Nc1cc(C(F)(F)F)n(CC2CCOCC2)n1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is AXHWAGKGQBWPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)8-5-9(14)15-16(8)6-7-1-3-17-4-2-7/h5,7H,1-4,6H2,(H2,14,15).
What are the key properties of 1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine?
1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 249.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 157041934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).