tert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate

C14H24N4O2 — CID 58030183

IUPACtert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)OC(C)(C)C)C(c2cc(N)n[nH]2)C1
InChIInChI=1S/C14H24N4O2/c1-9-5-6-18(13(19)20-14(2,3)4)11(7-9)10-8-12(15)17-16-10/h8-9,11H,5-7H2,1-4H3,(H3,15,16,17)
InChIKeyPGEKRXHKZCXIMP-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.70
Rot. Bonds1

About tert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate

tert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate (PubChem CID 58030183) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate
PubChem CID58030183
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)OC(C)(C)C)C(c2cc(N)n[nH]2)C1
InChIInChI=1S/C14H24N4O2/c1-9-5-6-18(13(19)20-14(2,3)4)11(7-9)10-8-12(15)17-16-10/h8-9,11H,5-7H2,1-4H3,(H3,15,16,17)
InChIKeyPGEKRXHKZCXIMP-UHFFFAOYSA-N
XLogP2.70
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate
CID 73424849
tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029491
tert-butyl (2R)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029440
tert-butyl (2S,4S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)-4-methylpiperidine-1-carboxylate
CID 58029339
tert-butyl (2S,4R)-2-(4-hydroxyphenyl)-4-methylpiperidine-1-carboxylate
CID 138627786
tert-butyl (2S,4R)-4-methyl-2-(4-methylsulfinylphenyl)piperidine-1-carboxylate
CID 138627634
tert-butyl (4S)-4-methyl-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 172506899
[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate
CID 170612441
[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate
CID 175972510
tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 75817647
(4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 58822358
tert-butyl 2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate
CID 121248826

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate (CID 58030183) is tert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate is CC1CCN(C(=O)OC(C)(C)C)C(c2cc(N)n[nH]2)C1.
What is the InChIKey of tert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate?
The InChIKey is PGEKRXHKZCXIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9-5-6-18(13(19)20-14(2,3)4)11(7-9)10-8-12(15)17-16-10/h8-9,11H,5-7H2,1-4H3,(H3,15,16,17).
What are the key properties of tert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate?
tert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 58030183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).