tert-butyl 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate

C15H27N5O3 — CID 104933478

IUPACtert-butyl 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(O)Cn2cc(N)cn2)CC1
InChIInChI=1S/C15H27N5O3/c1-15(2,3)23-14(22)19-6-4-18(5-7-19)10-13(21)11-20-9-12(16)8-17-20/h8-9,13,21H,4-7,10-11,16H2,1-3H3
InChIKeyFVUAAFWHLSSYQY-UHFFFAOYSA-N
MW325.41 g/mol
LogP0.38
Rot. Bonds4

About tert-butyl 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate

tert-butyl 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate (PubChem CID 104933478) has the molecular formula C15H27N5O3 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate
PubChem CID104933478
Molecular FormulaC15H27N5O3
Molecular Weight325.41 g/mol
Exact Mass325.21
IUPAC Nametert-butyl 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(O)Cn2cc(N)cn2)CC1
InChIInChI=1S/C15H27N5O3/c1-15(2,3)23-14(22)19-6-4-18(5-7-19)10-13(21)11-20-9-12(16)8-17-20/h8-9,13,21H,4-7,10-11,16H2,1-3H3
InChIKeyFVUAAFWHLSSYQY-UHFFFAOYSA-N
XLogP0.38
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate (CID 104933478) is tert-butyl 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC(O)Cn2cc(N)cn2)CC1.
What is the InChIKey of tert-butyl 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate?
The InChIKey is FVUAAFWHLSSYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3/c1-15(2,3)23-14(22)19-6-4-18(5-7-19)10-13(21)11-20-9-12(16)8-17-20/h8-9,13,21H,4-7,10-11,16H2,1-3H3.
What are the key properties of tert-butyl 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate?
tert-butyl 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate is sourced from PubChem (CID 104933478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).