tert-butyl 4-(2-ethylpyrazol-3-yl)piperidine-1-carboxylate

C15H25N3O2 — CID 70142829

IUPACtert-butyl 4-(2-ethylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCCn1nccc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25N3O2/c1-5-18-13(6-9-16-18)12-7-10-17(11-8-12)14(19)20-15(2,3)4/h6,9,12H,5,7-8,10-11H2,1-4H3
InChIKeyUDOGVBKWLQLZJC-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.02
Rot. Bonds2

About tert-butyl 4-(2-ethylpyrazol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(2-ethylpyrazol-3-yl)piperidine-1-carboxylate (PubChem CID 70142829) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl 4-(2-ethylpyrazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-ethylpyrazol-3-yl)piperidine-1-carboxylate
PubChem CID70142829
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl 4-(2-ethylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCCn1nccc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25N3O2/c1-5-18-13(6-9-16-18)12-7-10-17(11-8-12)14(19)20-15(2,3)4/h6,9,12H,5,7-8,10-11H2,1-4H3
InChIKeyUDOGVBKWLQLZJC-UHFFFAOYSA-N
XLogP3.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-ethylpyrazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-ethylpyrazol-3-yl)piperidine-1-carboxylate (CID 70142829) is tert-butyl 4-(2-ethylpyrazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-ethylpyrazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-ethylpyrazol-3-yl)piperidine-1-carboxylate is CCn1nccc1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-ethylpyrazol-3-yl)piperidine-1-carboxylate?
The InChIKey is UDOGVBKWLQLZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-18-13(6-9-16-18)12-7-10-17(11-8-12)14(19)20-15(2,3)4/h6,9,12H,5,7-8,10-11H2,1-4H3.
What are the key properties of tert-butyl 4-(2-ethylpyrazol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-ethylpyrazol-3-yl)piperidine-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-ethylpyrazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 70142829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).