tert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate

C12H19N3O3 — CID 171592876

IUPACtert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1COc1cn[nH]c1
InChIInChI=1S/C12H19N3O3/c1-12(2,3)18-11(16)15-5-4-9(15)8-17-10-6-13-14-7-10/h6-7,9H,4-5,8H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyVWNQDZRLGREAIU-SECBINFHSA-N
MW253.30 g/mol
LogP1.80
Rot. Bonds3

About tert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate

tert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate (PubChem CID 171592876) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is tert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate
PubChem CID171592876
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nametert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1COc1cn[nH]c1
InChIInChI=1S/C12H19N3O3/c1-12(2,3)18-11(16)15-5-4-9(15)8-17-10-6-13-14-7-10/h6-7,9H,4-5,8H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyVWNQDZRLGREAIU-SECBINFHSA-N
XLogP1.80
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl (2S)-2-[(5-trimethylstannyl-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
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tert-butyl (2S)-2-[(5-chloro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
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CID 54220085
tert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate
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tert-butyl (2S)-2-[(5-ethynyl-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 56595566
tert-butyl (2S)-2-[[5-(2-oxoethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
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tert-butyl (2S)-2-[[6-(fluoromethyl)-5-methyl-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 54040757
tert-butyl (2S)-2-[(5-nitro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 21345209
tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 15480236
tert-butyl (2S)-2-[[5-[(1S,2R)-2-formylcyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate (CID 171592876) is tert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H]1COc1cn[nH]c1.
What is the InChIKey of tert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate?
The InChIKey is VWNQDZRLGREAIU-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2,3)18-11(16)15-5-4-9(15)8-17-10-6-13-14-7-10/h6-7,9H,4-5,8H2,1-3H3,(H,13,14)/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate?
tert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate is sourced from PubChem (CID 171592876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).