tert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate

C11H16FN3O4S — CID 167739273

IUPACtert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(n2nccc2S(=O)(=O)F)C1
InChIInChI=1S/C11H16FN3O4S/c1-11(2,3)19-10(16)14-6-8(7-14)15-9(4-5-13-15)20(12,17)18/h4-5,8H,6-7H2,1-3H3
InChIKeyNDBZSRGCMXAKKC-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.33
Rot. Bonds2

About tert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate

tert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate (PubChem CID 167739273) has the molecular formula C11H16FN3O4S and a molecular weight of 305.33 g/mol. Its IUPAC name is tert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate
PubChem CID167739273
Molecular FormulaC11H16FN3O4S
Molecular Weight305.33 g/mol
Exact Mass305.08
IUPAC Nametert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(n2nccc2S(=O)(=O)F)C1
InChIInChI=1S/C11H16FN3O4S/c1-11(2,3)19-10(16)14-6-8(7-14)15-9(4-5-13-15)20(12,17)18/h4-5,8H,6-7H2,1-3H3
InChIKeyNDBZSRGCMXAKKC-UHFFFAOYSA-N
XLogP1.33
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane
CID 144996243
potassium trifluoro-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrazol-3-yl]boranuide
CID 167740536
tert-butyl 3-(5-methyl-3-propan-2-ylpyrazol-1-yl)azetidine-1-carboxylate;ethane
CID 144669766
tert-butyl 3-(4-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate
CID 165484370
tert-butyl (3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate
CID 166162680
tert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate
CID 166162668
tert-butyl 3-(4,5-dioxobenzo[e]benzotriazol-3-yl)azetidine-1-carboxylate
CID 155354427
methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]indazole-3-carboxylate
CID 138857595
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 3-(2-bromoimidazol-1-yl)azetidine-1-carboxylate
CID 172993569
tert-butyl 3-(3-bromoindazol-1-yl)azetidine-1-carboxylate
CID 178043117
tert-butyl 3-[4-(1,3-dioxolan-2-yl)-3-pyridinyl]azetidine-1-carboxylate
CID 168981233

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate (CID 167739273) is tert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(n2nccc2S(=O)(=O)F)C1.
What is the InChIKey of tert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate?
The InChIKey is NDBZSRGCMXAKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O4S/c1-11(2,3)19-10(16)14-6-8(7-14)15-9(4-5-13-15)20(12,17)18/h4-5,8H,6-7H2,1-3H3.
What are the key properties of tert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate?
tert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate is sourced from PubChem (CID 167739273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).