tert-butyl N-[3-(4-hydroxypyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]carbamate

C13H19N3O3 — CID 163279788

IUPACtert-butyl N-[3-(4-hydroxypyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESCC(C)(C)OC(=O)NC12CC(n3cc(O)cn3)(C1)C2
InChIInChI=1S/C13H19N3O3/c1-11(2,3)19-10(18)15-12-6-13(7-12,8-12)16-5-9(17)4-14-16/h4-5,17H,6-8H2,1-3H3,(H,15,18)
InChIKeyANCJXZCMTLPXKU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.75
Rot. Bonds2

About tert-butyl N-[3-(4-hydroxypyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]carbamate

tert-butyl N-[3-(4-hydroxypyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]carbamate (PubChem CID 163279788) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl N-[3-(4-hydroxypyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-hydroxypyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]carbamate
PubChem CID163279788
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nametert-butyl N-[3-(4-hydroxypyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]carbamate
SMILESCC(C)(C)OC(=O)NC12CC(n3cc(O)cn3)(C1)C2
InChIInChI=1S/C13H19N3O3/c1-11(2,3)19-10(18)15-12-6-13(7-12,8-12)16-5-9(17)4-14-16/h4-5,17H,6-8H2,1-3H3,(H,15,18)
InChIKeyANCJXZCMTLPXKU-UHFFFAOYSA-N
XLogP1.75
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[4-[2-(trifluoromethoxy)ethylamino]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 163279421
tert-butyl N-[3-[4-[[3-(trifluoromethoxy)cyclobutyl]methoxy]pyrazol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 163279737
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate
CID 168724937
tert-butyl N-[3-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 156902428
tert-butyl N-[3-(5-chloro-1,3-dioxoisoindol-2-yl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 154698806
tert-butyl N-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 138106118
tert-butyl N-[3-[[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carbonyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 155717070
tert-butyl N-[3-[3-(4-chloro-3-fluorophenyl)pyrrol-1-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
CID 155634451
tert-butyl N-[3-(2-amino-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 146204169
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] methanesulfonate
CID 175968512
tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 169150003
tert-butyl N-[3-(4-formylphenoxy)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 168861673

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-hydroxypyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-hydroxypyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]carbamate (CID 163279788) is tert-butyl N-[3-(4-hydroxypyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-hydroxypyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-hydroxypyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]carbamate is CC(C)(C)OC(=O)NC12CC(n3cc(O)cn3)(C1)C2.
What is the InChIKey of tert-butyl N-[3-(4-hydroxypyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]carbamate?
The InChIKey is ANCJXZCMTLPXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-11(2,3)19-10(18)15-12-6-13(7-12,8-12)16-5-9(17)4-14-16/h4-5,17H,6-8H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[3-(4-hydroxypyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]carbamate?
tert-butyl N-[3-(4-hydroxypyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]carbamate has a molecular weight of 265.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-hydroxypyrazol-1-yl)-1-bicyclo[1.1.1]pentanyl]carbamate is sourced from PubChem (CID 163279788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).