tert-butyl 4-(5-aminopyrazol-1-yl)piperidine-1-carboxylate

C13H22N4O2 — CID 1094293

IUPACtert-butyl 4-(5-aminopyrazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2nccc2N)CC1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-8-5-10(6-9-16)17-11(14)4-7-15-17/h4,7,10H,5-6,8-9,14H2,1-3H3
InChIKeyGPPWROXEQAURAI-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.04
Rot. Bonds1

About tert-butyl 4-(5-aminopyrazol-1-yl)piperidine-1-carboxylate

tert-butyl 4-(5-aminopyrazol-1-yl)piperidine-1-carboxylate (PubChem CID 1094293) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl 4-(5-aminopyrazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-aminopyrazol-1-yl)piperidine-1-carboxylate
PubChem CID1094293
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nametert-butyl 4-(5-aminopyrazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2nccc2N)CC1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-8-5-10(6-9-16)17-11(14)4-7-15-17/h4,7,10H,5-6,8-9,14H2,1-3H3
InChIKeyGPPWROXEQAURAI-UHFFFAOYSA-N
XLogP2.04
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpiperidin-4-yl)-1H-pyrazol-5-amine
CID 1084924
tert-butyl 4-[(5-amino-1H-pyrazol-1-yl)methyl]piperidine-1-carboxylate
CID 132391097
tert-butyl 3-(3-amino-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate
CID 86775182
tert-butyl 3-(5-amino-1H-pyrazol-1-yl)azetidine-1-carboxylate
CID 132343726
tert-butyl 3-(5-amino-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 154879023
(2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
CID 97258233
tert-butyl (4S)-4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]azepane-1-carboxylate
CID 97813205
tert-butyl N-[2-(2-fluoroethyl)pyrazol-3-yl]carbamate
CID 130444387
tert-butyl N-[(4R)-6,6-difluoro-1-(2-methylpyrazol-3-yl)azepan-4-yl]carbamate
CID 141363152
Tert-butyl 4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]azepane-1-carboxylate
CID 75502693
tert-butyl (4R)-4-[[1-(2,2-difluoroethyl)pyrazol-3-yl]amino]azepane-1-carboxylate
CID 97813206
4-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 109881162

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-aminopyrazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-aminopyrazol-1-yl)piperidine-1-carboxylate (CID 1094293) is tert-butyl 4-(5-aminopyrazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-aminopyrazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-aminopyrazol-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2nccc2N)CC1.
What is the InChIKey of tert-butyl 4-(5-aminopyrazol-1-yl)piperidine-1-carboxylate?
The InChIKey is GPPWROXEQAURAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-8-5-10(6-9-16)17-11(14)4-7-15-17/h4,7,10H,5-6,8-9,14H2,1-3H3.
What are the key properties of tert-butyl 4-(5-aminopyrazol-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-aminopyrazol-1-yl)piperidine-1-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-aminopyrazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 1094293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).