tert-butyl 4-(6-formylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate

C17H22N4O3 — CID 66521673

IUPACtert-butyl 4-(6-formylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3ncc(C=O)cn3n2)CC1
InChIInChI=1S/C17H22N4O3/c1-17(2,3)24-16(23)20-6-4-13(5-7-20)14-8-15-18-9-12(11-22)10-21(15)19-14/h8-11,13H,4-7H2,1-3H3
InChIKeyBQFXUUPFQAZHFC-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.66
Rot. Bonds2

About tert-butyl 4-(6-formylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate

tert-butyl 4-(6-formylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate (PubChem CID 66521673) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is tert-butyl 4-(6-formylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-formylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
PubChem CID66521673
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Nametert-butyl 4-(6-formylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3ncc(C=O)cn3n2)CC1
InChIInChI=1S/C17H22N4O3/c1-17(2,3)24-16(23)20-6-4-13(5-7-20)14-8-15-18-9-12(11-22)10-21(15)19-14/h8-11,13H,4-7H2,1-3H3
InChIKeyBQFXUUPFQAZHFC-UHFFFAOYSA-N
XLogP2.66
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(6-formylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-formylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate (CID 66521673) is tert-butyl 4-(6-formylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-formylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-formylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc3ncc(C=O)cn3n2)CC1.
What is the InChIKey of tert-butyl 4-(6-formylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate?
The InChIKey is BQFXUUPFQAZHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-17(2,3)24-16(23)20-6-4-13(5-7-20)14-8-15-18-9-12(11-22)10-21(15)19-14/h8-11,13H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(6-formylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(6-formylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate has a molecular weight of 330.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-formylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 66521673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).