3-tert-butyl-1-[[(2R,3R)-3-fluorooxolan-2-yl]methyl]pyrazol-5-amine

C12H20FN3O — CID 66698219

IUPAC3-tert-butyl-1-[[(2R,3R)-3-fluorooxolan-2-yl]methyl]pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(C[C@H]2OCC[C@H]2F)n1
InChIInChI=1S/C12H20FN3O/c1-12(2,3)10-6-11(14)16(15-10)7-9-8(13)4-5-17-9/h6,8-9H,4-5,7,14H2,1-3H3/t8-,9-/m1/s1
InChIKeyLVAZGPQCYAUTNR-RKDXNWHRSA-N
MW241.31 g/mol
LogP1.89
Rot. Bonds2

About 3-tert-butyl-1-[[(2R,3R)-3-fluorooxolan-2-yl]methyl]pyrazol-5-amine

3-tert-butyl-1-[[(2R,3R)-3-fluorooxolan-2-yl]methyl]pyrazol-5-amine (PubChem CID 66698219) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-tert-butyl-1-[[(2R,3R)-3-fluorooxolan-2-yl]methyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-[[(2R,3R)-3-fluorooxolan-2-yl]methyl]pyrazol-5-amine
PubChem CID66698219
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name3-tert-butyl-1-[[(2R,3R)-3-fluorooxolan-2-yl]methyl]pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(C[C@H]2OCC[C@H]2F)n1
InChIInChI=1S/C12H20FN3O/c1-12(2,3)10-6-11(14)16(15-10)7-9-8(13)4-5-17-9/h6,8-9H,4-5,7,14H2,1-3H3/t8-,9-/m1/s1
InChIKeyLVAZGPQCYAUTNR-RKDXNWHRSA-N
XLogP1.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[[(2R,3R)-3-fluorooxolan-2-yl]methyl]pyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-[[(2R,3R)-3-fluorooxolan-2-yl]methyl]pyrazol-5-amine (CID 66698219) is 3-tert-butyl-1-[[(2R,3R)-3-fluorooxolan-2-yl]methyl]pyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-[[(2R,3R)-3-fluorooxolan-2-yl]methyl]pyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-[[(2R,3R)-3-fluorooxolan-2-yl]methyl]pyrazol-5-amine is CC(C)(C)c1cc(N)n(C[C@H]2OCC[C@H]2F)n1.
What is the InChIKey of 3-tert-butyl-1-[[(2R,3R)-3-fluorooxolan-2-yl]methyl]pyrazol-5-amine?
The InChIKey is LVAZGPQCYAUTNR-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-12(2,3)10-6-11(14)16(15-10)7-9-8(13)4-5-17-9/h6,8-9H,4-5,7,14H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of 3-tert-butyl-1-[[(2R,3R)-3-fluorooxolan-2-yl]methyl]pyrazol-5-amine?
3-tert-butyl-1-[[(2R,3R)-3-fluorooxolan-2-yl]methyl]pyrazol-5-amine has a molecular weight of 241.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[[(2R,3R)-3-fluorooxolan-2-yl]methyl]pyrazol-5-amine is sourced from PubChem (CID 66698219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).