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

C13H22N4O2 — CID 27281520

IUPACtert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(N)cn2)CC1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17/h8-9,11H,4-7,14H2,1-3H3
InChIKeyTVJWTRPGFVNAJI-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.04
Rot. Bonds1

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

tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate (PubChem CID 27281520) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate
PubChem CID27281520
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nametert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(N)cn2)CC1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17/h8-9,11H,4-7,14H2,1-3H3
InChIKeyTVJWTRPGFVNAJI-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

tert-butyl 4-amino-1H-pyrazole-1-carboxylate
CID 59587648
2-(4-Amino-1h-pyrazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
CID 28313578
2-(4-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 28379290
tert-Butyl 3-(4-amino-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate
CID 46738147
3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
CID 54593545
1-(1-methyl-1H-pyrazol-4-yl)piperidin-3-amine
CID 54593547
tert-butyl (2-(4-amino-1H-pyrazol-1-yl)ethyl)carbamate
CID 70984316
tert-butyl (3-(4-amino-1H-pyrazol-1-yl)propyl)carbamate
CID 84728083
1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-amine hydrochloride
CID 89717616
Tert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 56827321
tert-Butyl 4-[2-(1H-pyrazol-1-yl)ethyl]piperazine-1-carboxylate
CID 52903976
ethyl (1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)carbamate
CID 71810209

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate (CID 27281520) is tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cc(N)cn2)CC1.
What is the InChIKey of tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate?
The InChIKey is TVJWTRPGFVNAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17/h8-9,11H,4-7,14H2,1-3H3.
What are the key properties of tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-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-(4-aminopyrazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 27281520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).