tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate

C15H23N3O4 — CID 103554047

IUPACtert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate
SMILESCCn1nccc1C(=O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O4/c1-5-18-11(6-7-16-18)13(19)12-10-21-9-8-17(12)14(20)22-15(2,3)4/h6-7,12H,5,8-10H2,1-4H3
InChIKeyIRZCMIHVFGCVRW-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.72
Rot. Bonds3

About tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate

tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate (PubChem CID 103554047) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate
PubChem CID103554047
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nametert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate
SMILESCCn1nccc1C(=O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O4/c1-5-18-11(6-7-16-18)13(19)12-10-21-9-8-17(12)14(20)22-15(2,3)4/h6-7,12H,5,8-10H2,1-4H3
InChIKeyIRZCMIHVFGCVRW-UHFFFAOYSA-N
XLogP1.72
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-(1-propylimidazole-2-carbonyl)morpholine-4-carboxylate
CID 103554048
tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate
CID 103554099
tert-butyl 3-(3,5-difluorobenzoyl)morpholine-4-carboxylate
CID 103553945
tert-butyl 3-[2-(furan-3-yl)acetyl]morpholine-4-carboxylate
CID 103554111
tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate
CID 103553976
tert-butyl 3-(5-methylpyridine-3-carbonyl)morpholine-4-carboxylate
CID 103553981
tert-butyl 3-(4-fluoro-2-methylbenzoyl)morpholine-4-carboxylate
CID 103554020
tert-butyl 3-[2-(1-methylimidazol-2-yl)acetyl]morpholine-4-carboxylate
CID 103554079
tert-butyl 3-(2,5-difluoropyridine-4-carbonyl)morpholine-4-carboxylate
CID 146014037
tert-butyl 3-nonanoylmorpholine-4-carboxylate
CID 103554093
tert-butyl 3-(2-cyanoacetyl)morpholine-4-carboxylate
CID 76668092
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate (CID 103554047) is tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate is CCn1nccc1C(=O)C1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate?
The InChIKey is IRZCMIHVFGCVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-5-18-11(6-7-16-18)13(19)12-10-21-9-8-17(12)14(20)22-15(2,3)4/h6-7,12H,5,8-10H2,1-4H3.
What are the key properties of tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate?
tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate is sourced from PubChem (CID 103554047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).