tert-butyl 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate

C16H24FN3O3 — CID 178181975

IUPACtert-butyl 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2c(F)cnn2C2COC2)CC1
InChIInChI=1S/C16H24FN3O3/c1-16(2,3)23-15(21)19-6-4-11(5-7-19)14-13(17)8-18-20(14)12-9-22-10-12/h8,11-12H,4-7,9-10H2,1-3H3
InChIKeyGQJFXNKTEMZPTC-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.71
Rot. Bonds2

About tert-butyl 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate

tert-butyl 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate (PubChem CID 178181975) has the molecular formula C16H24FN3O3 and a molecular weight of 325.38 g/mol. Its IUPAC name is tert-butyl 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate
PubChem CID178181975
Molecular FormulaC16H24FN3O3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Nametert-butyl 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2c(F)cnn2C2COC2)CC1
InChIInChI=1S/C16H24FN3O3/c1-16(2,3)23-15(21)19-6-4-11(5-7-19)14-13(17)8-18-20(14)12-9-22-10-12/h8,11-12H,4-7,9-10H2,1-3H3
InChIKeyGQJFXNKTEMZPTC-UHFFFAOYSA-N
XLogP2.71
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate (CID 178181975) is tert-butyl 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2c(F)cnn2C2COC2)CC1.
What is the InChIKey of tert-butyl 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate?
The InChIKey is GQJFXNKTEMZPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3/c1-16(2,3)23-15(21)19-6-4-11(5-7-19)14-13(17)8-18-20(14)12-9-22-10-12/h8,11-12H,4-7,9-10H2,1-3H3.
What are the key properties of tert-butyl 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate has a molecular weight of 325.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 178181975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).