tert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane

C14H25N3O2 — CID 144996243

IUPACtert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane
SMILESCC.Cc1ccnn1C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H19N3O2.C2H6/c1-9-5-6-13-15(9)10-7-14(8-10)11(16)17-12(2,3)4;1-2/h5-6,10H,7-8H2,1-4H3;1-2H3
InChIKeyQZFPVKCNDXKQLD-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.01
Rot. Bonds1

About tert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane

tert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane (PubChem CID 144996243) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane
PubChem CID144996243
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nametert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane
SMILESCC.Cc1ccnn1C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H19N3O2.C2H6/c1-9-5-6-13-15(9)10-7-14(8-10)11(16)17-12(2,3)4;1-2/h5-6,10H,7-8H2,1-4H3;1-2H3
InChIKeyQZFPVKCNDXKQLD-UHFFFAOYSA-N
XLogP3.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(5-fluorosulfonylpyrazol-1-yl)azetidine-1-carboxylate
CID 167739273
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
ethyl 5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrazole-3-carboxylate
CID 138857556
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-chloropyrazolo[3,4-b]pyridin-1-yl)azetidine-1-carboxylate
CID 165484370
ethyl 4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrazole-5-carboxylate
CID 138857558
ethyl 5-amino-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrazole-4-carboxylate
CID 169254020
tert-butyl 2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-11-carboxylate
CID 136840915
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 3-(2-bromoimidazol-1-yl)azetidine-1-carboxylate
CID 172993569

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane (CID 144996243) is tert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane is CC.Cc1ccnn1C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane?
The InChIKey is QZFPVKCNDXKQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.C2H6/c1-9-5-6-13-15(9)10-7-14(8-10)11(16)17-12(2,3)4;1-2/h5-6,10H,7-8H2,1-4H3;1-2H3.
What are the key properties of tert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane?
tert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane has a molecular weight of 267.37 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-methylpyrazol-1-yl)azetidine-1-carboxylate;ethane is sourced from PubChem (CID 144996243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).