tert-butyl 4-(5-formamido-1-propan-2-ylpyrazol-3-yl)piperidine-1-carboxylate

C17H28N4O3 — CID 118936297

IUPACtert-butyl 4-(5-formamido-1-propan-2-ylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)n1nc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1NC=O
InChIInChI=1S/C17H28N4O3/c1-12(2)21-15(18-11-22)10-14(19-21)13-6-8-20(9-7-13)16(23)24-17(3,4)5/h10-13H,6-9H2,1-5H3,(H,18,22)
InChIKeyRGWPRRACBGURRK-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.15
Rot. Bonds4

About tert-butyl 4-(5-formamido-1-propan-2-ylpyrazol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(5-formamido-1-propan-2-ylpyrazol-3-yl)piperidine-1-carboxylate (PubChem CID 118936297) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is tert-butyl 4-(5-formamido-1-propan-2-ylpyrazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-formamido-1-propan-2-ylpyrazol-3-yl)piperidine-1-carboxylate
PubChem CID118936297
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Nametert-butyl 4-(5-formamido-1-propan-2-ylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)n1nc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1NC=O
InChIInChI=1S/C17H28N4O3/c1-12(2)21-15(18-11-22)10-14(19-21)13-6-8-20(9-7-13)16(23)24-17(3,4)5/h10-13H,6-9H2,1-5H3,(H,18,22)
InChIKeyRGWPRRACBGURRK-UHFFFAOYSA-N
XLogP3.15
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-formamido-1-propan-2-ylpyrazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-formamido-1-propan-2-ylpyrazol-3-yl)piperidine-1-carboxylate (CID 118936297) is tert-butyl 4-(5-formamido-1-propan-2-ylpyrazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-formamido-1-propan-2-ylpyrazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-formamido-1-propan-2-ylpyrazol-3-yl)piperidine-1-carboxylate is CC(C)n1nc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1NC=O.
What is the InChIKey of tert-butyl 4-(5-formamido-1-propan-2-ylpyrazol-3-yl)piperidine-1-carboxylate?
The InChIKey is RGWPRRACBGURRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-12(2)21-15(18-11-22)10-14(19-21)13-6-8-20(9-7-13)16(23)24-17(3,4)5/h10-13H,6-9H2,1-5H3,(H,18,22).
What are the key properties of tert-butyl 4-(5-formamido-1-propan-2-ylpyrazol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-formamido-1-propan-2-ylpyrazol-3-yl)piperidine-1-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-formamido-1-propan-2-ylpyrazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 118936297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).