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

C16H28N4O2 — CID 90292805

IUPACtert-butyl 4-(3-amino-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)n1nc(N)cc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H28N4O2/c1-11(2)20-13(10-14(17)18-20)12-6-8-19(9-7-12)15(21)22-16(3,4)5/h10-12H,6-9H2,1-5H3,(H2,17,18)
InChIKeyXFLSCCOXLZWWHU-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.16
Rot. Bonds2

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

tert-butyl 4-(3-amino-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate (PubChem CID 90292805) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is tert-butyl 4-(3-amino-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-amino-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate
PubChem CID90292805
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Nametert-butyl 4-(3-amino-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)n1nc(N)cc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H28N4O2/c1-11(2)20-13(10-14(17)18-20)12-6-8-19(9-7-12)15(21)22-16(3,4)5/h10-12H,6-9H2,1-5H3,(H2,17,18)
InChIKeyXFLSCCOXLZWWHU-UHFFFAOYSA-N
XLogP3.16
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(5-amino-1H-pyrazol-3-yl)piperidine-1-carboxylate
CID 49761279
Tert-butyl 4-[2-(3,3-difluorocyclopentyl)-5-methylpyrazol-3-yl]piperidine-1-carboxylate
CID 126489532
tert-butyl (4R)-3-(3-amino-5-tert-butylpyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylate
CID 164560307
Tert-butyl 4-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 166833831
tert-butyl (1S,5R)-6-(3-amino-1-propan-2-ylpyrazol-5-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 134961959
Tert-butyl 4-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-1-carboxylate
CID 11588281
tert-butyl 3-amino-5-cyclopropyl-1H-pyrazole-1-carboxylate
CID 11218347
Tert-butyl 3-amino-5-cyclobutyl-1H-pyrazole-1-carboxylate
CID 11436320
1,1-Dimethylethyl 4-[1-(1,1-Dimethylethyl)-3-methyl-1H-pyrazol-5-yl]piperidinecarboxylate
CID 11551525
1-(tert-Butoxycarbonyl)-4-(1,3-diethyl-(1H)-pyrazol-5-yl)piperidine
CID 23557496
tert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate
CID 58030183
tert-butyl 5-amino-3-(1-(tert-butoxycarbonyl)azetidin-3-yl)-1H-pyrazole-1-carboxylate
CID 58044233

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-amino-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-amino-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate (CID 90292805) is tert-butyl 4-(3-amino-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-amino-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-amino-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate is CC(C)n1nc(N)cc1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-amino-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate?
The InChIKey is XFLSCCOXLZWWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11(2)20-13(10-14(17)18-20)12-6-8-19(9-7-12)15(21)22-16(3,4)5/h10-12H,6-9H2,1-5H3,(H2,17,18).
What are the key properties of tert-butyl 4-(3-amino-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-amino-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate has a molecular weight of 308.43 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-amino-1-propan-2-ylpyrazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 90292805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).