tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate

C13H22N4O2 — CID 58029491

IUPACtert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1c1cc(N)n[nH]1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-7-5-4-6-10(17)9-8-11(14)16-15-9/h8,10H,4-7H2,1-3H3,(H3,14,15,16)/t10-/m0/s1
InChIKeyAHHHMPSXPQNSOE-JTQLQIEISA-N
MW266.34 g/mol
LogP2.45
Rot. Bonds1

About tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate

tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate (PubChem CID 58029491) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
PubChem CID58029491
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nametert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1c1cc(N)n[nH]1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-7-5-4-6-10(17)9-8-11(14)16-15-9/h8,10H,4-7H2,1-3H3,(H3,14,15,16)/t10-/m0/s1
InChIKeyAHHHMPSXPQNSOE-JTQLQIEISA-N
XLogP2.45
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029440
tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate
CID 73424849
tert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate
CID 58030183
tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 75817647
tert-butyl 2-(5-amino-1H-indol-2-yl)piperidine-1-carboxylate
CID 59129176
tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate
CID 83404783
tert-butyl 2-(5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 76668485
tert-butyl (2S)-2-(1H-imidazol-5-yl)pyrrolidine-1-carboxylate
CID 114986170
tert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 99978628
tert-butyl 2-(3-amino-5-fluorophenyl)piperidine-1-carboxylate
CID 172593674
tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate;6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;methane;methyl 2-ethyl-3-oxobutanoate
CID 158994855
tert-butyl 2-[3-[4-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylate
CID 68588273

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate (CID 58029491) is tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1c1cc(N)n[nH]1.
What is the InChIKey of tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate?
The InChIKey is AHHHMPSXPQNSOE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-7-5-4-6-10(17)9-8-11(14)16-15-9/h8,10H,4-7H2,1-3H3,(H3,14,15,16)/t10-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate?
tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 58029491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).