tert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate

C12H20N4O3 — CID 167237321

IUPACtert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate
SMILESCn1cc(N)c(OC2CN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C12H20N4O3/c1-12(2,3)19-11(17)16-5-8(6-16)18-10-9(13)7-15(4)14-10/h7-8H,5-6,13H2,1-4H3
InChIKeyZNNRPMSUTCIALG-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.00
Rot. Bonds2

About tert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate

tert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate (PubChem CID 167237321) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is tert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate
PubChem CID167237321
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Nametert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate
SMILESCn1cc(N)c(OC2CN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C12H20N4O3/c1-12(2,3)19-11(17)16-5-8(6-16)18-10-9(13)7-15(4)14-10/h7-8H,5-6,13H2,1-4H3
InChIKeyZNNRPMSUTCIALG-UHFFFAOYSA-N
XLogP1.00
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 138985889
tert-butyl 3-(4-hydroxyphenoxy)azetidine-1-carboxylate
CID 162516277
tert-butyl 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazetidine-1-carboxylate
CID 163301724
3-(4,4-dimethylcyclohexyl)oxy-1-methylpyrazol-4-amine
CID 103079230
tert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate
CID 162516738
1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine
CID 166528044
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 3-(2,4,5-trifluorophenoxy)azetidine-1-carboxylate
CID 24902669
tert-butyl (3R)-3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 58548011
tert-butyl 3-(3-carbamoyl-4-chlorophenoxy)azetidine-1-carboxylate
CID 57423002
tert-butyl 3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 76819357
tert-butyl 3-[(5-chloro-6-fluoro-3-nitro-2-pyridinyl)oxy]azetidine-1-carboxylate;propane
CID 156803033

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate (CID 167237321) is tert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate is Cn1cc(N)c(OC2CN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate?
The InChIKey is ZNNRPMSUTCIALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-12(2,3)19-11(17)16-5-8(6-16)18-10-9(13)7-15(4)14-10/h7-8H,5-6,13H2,1-4H3.
What are the key properties of tert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate?
tert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-amino-1-methylpyrazol-3-yl)oxyazetidine-1-carboxylate is sourced from PubChem (CID 167237321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).