1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-amine

C8H10F3N3O — CID 164558728

IUPAC1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-amine
SMILESNc1cc(C(F)(F)F)n([C@@H]2CCOC2)n1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6-3-7(12)13-14(6)5-1-2-15-4-5/h3,5H,1-2,4H2,(H2,12,13)/t5-/m1/s1
InChIKeyABKFTLQXICGZTJ-RXMQYKEDSA-N
MW221.18 g/mol
LogP1.45
Rot. Bonds1

About 1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-amine

1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 164558728) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID164558728
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-amine
SMILESNc1cc(C(F)(F)F)n([C@@H]2CCOC2)n1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6-3-7(12)13-14(6)5-1-2-15-4-5/h3,5H,1-2,4H2,(H2,12,13)/t5-/m1/s1
InChIKeyABKFTLQXICGZTJ-RXMQYKEDSA-N
XLogP1.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of 1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-amine (CID 164558728) is 1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for 1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for 1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-amine is Nc1cc(C(F)(F)F)n([C@@H]2CCOC2)n1.
What is the InChIKey of 1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is ABKFTLQXICGZTJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)6-3-7(12)13-14(6)5-1-2-15-4-5/h3,5H,1-2,4H2,(H2,12,13)/t5-/m1/s1.
What are the key properties of 1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-amine?
1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 221.18 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-oxolan-3-yl]-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 164558728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).