tert-butyl 3-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate

C14H23N5O3 — CID 58216771

IUPACtert-butyl 3-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(n2ncc(C(N)=O)c2N)C1
InChIInChI=1S/C14H23N5O3/c1-14(2,3)22-13(21)18-6-4-5-9(8-18)19-11(15)10(7-17-19)12(16)20/h7,9H,4-6,8,15H2,1-3H3,(H2,16,20)
InChIKeyLALMFTTXVOKPPF-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.14
Rot. Bonds2

About tert-butyl 3-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate

tert-butyl 3-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate (PubChem CID 58216771) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl 3-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
PubChem CID58216771
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Nametert-butyl 3-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(n2ncc(C(N)=O)c2N)C1
InChIInChI=1S/C14H23N5O3/c1-14(2,3)22-13(21)18-6-4-5-9(8-18)19-11(15)10(7-17-19)12(16)20/h7,9H,4-6,8,15H2,1-3H3,(H2,16,20)
InChIKeyLALMFTTXVOKPPF-UHFFFAOYSA-N
XLogP1.14
TPSA116.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate (CID 58216771) is tert-butyl 3-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(n2ncc(C(N)=O)c2N)C1.
What is the InChIKey of tert-butyl 3-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate?
The InChIKey is LALMFTTXVOKPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-14(2,3)22-13(21)18-6-4-5-9(8-18)19-11(15)10(7-17-19)12(16)20/h7,9H,4-6,8,15H2,1-3H3,(H2,16,20).
What are the key properties of tert-butyl 3-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate?
tert-butyl 3-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 58216771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).