1-tert-butyl-3-(4-fluorooxolan-2-yl)pyrazol-5-amine

C11H18FN3O — CID 169141025

IUPAC1-tert-butyl-3-(4-fluorooxolan-2-yl)pyrazol-5-amine
SMILESCC(C)(C)n1nc(C2CC(F)CO2)cc1N
InChIInChI=1S/C11H18FN3O/c1-11(2,3)15-10(13)5-8(14-15)9-4-7(12)6-16-9/h5,7,9H,4,6,13H2,1-3H3
InChIKeyKOGJXXBXWUCOCJ-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.02
Rot. Bonds1

About 1-tert-butyl-3-(4-fluorooxolan-2-yl)pyrazol-5-amine

1-tert-butyl-3-(4-fluorooxolan-2-yl)pyrazol-5-amine (PubChem CID 169141025) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-fluorooxolan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(4-fluorooxolan-2-yl)pyrazol-5-amine
PubChem CID169141025
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name1-tert-butyl-3-(4-fluorooxolan-2-yl)pyrazol-5-amine
SMILESCC(C)(C)n1nc(C2CC(F)CO2)cc1N
InChIInChI=1S/C11H18FN3O/c1-11(2,3)15-10(13)5-8(14-15)9-4-7(12)6-16-9/h5,7,9H,4,6,13H2,1-3H3
InChIKeyKOGJXXBXWUCOCJ-UHFFFAOYSA-N
XLogP2.02
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-fluorooxolan-2-yl)pyrazol-5-amine?
The IUPAC name of 1-tert-butyl-3-(4-fluorooxolan-2-yl)pyrazol-5-amine (CID 169141025) is 1-tert-butyl-3-(4-fluorooxolan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-3-(4-fluorooxolan-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-3-(4-fluorooxolan-2-yl)pyrazol-5-amine is CC(C)(C)n1nc(C2CC(F)CO2)cc1N.
What is the InChIKey of 1-tert-butyl-3-(4-fluorooxolan-2-yl)pyrazol-5-amine?
The InChIKey is KOGJXXBXWUCOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-11(2,3)15-10(13)5-8(14-15)9-4-7(12)6-16-9/h5,7,9H,4,6,13H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(4-fluorooxolan-2-yl)pyrazol-5-amine?
1-tert-butyl-3-(4-fluorooxolan-2-yl)pyrazol-5-amine has a molecular weight of 227.28 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-fluorooxolan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 169141025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).