tert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate

C13H15BrN4O2 — CID 156773284

IUPACtert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(-n2cc(Br)cn2)ccn1
InChIInChI=1S/C13H15BrN4O2/c1-13(2,3)20-12(19)17-11-6-10(4-5-15-11)18-8-9(14)7-16-18/h4-8H,1-3H3,(H,15,17,19)
InChIKeyNWLMZXHLCKHKQZ-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.38
Rot. Bonds2

About tert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate

tert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate (PubChem CID 156773284) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is tert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate
PubChem CID156773284
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Nametert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(-n2cc(Br)cn2)ccn1
InChIInChI=1S/C13H15BrN4O2/c1-13(2,3)20-12(19)17-11-6-10(4-5-15-11)18-8-9(14)7-16-18/h4-8H,1-3H3,(H,15,17,19)
InChIKeyNWLMZXHLCKHKQZ-UHFFFAOYSA-N
XLogP3.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-bromopyrazol-1-yl)-2-pyridinyl] carbamate
CID 172801796
tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate
CID 173234410
tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate
CID 67357244
tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate
CID 118989818
tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate
CID 172639114
tert-butyl N-[2-[(4-bromo-2-pyridinyl)carbamoylamino]ethyl]carbamate
CID 108864612
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane
CID 142453798
tert-butyl N-[4-[(1-methylpyrazole-3-carbonyl)amino]-2-pyridinyl]carbamate
CID 154765834
tert-butyl N-pyrazin-2-ylcarbamate;ethane
CID 153338007
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-(4-chloro-2-pyridinyl)carbamate;ethyl formate
CID 161046296

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate (CID 156773284) is tert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cc(-n2cc(Br)cn2)ccn1.
What is the InChIKey of tert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate?
The InChIKey is NWLMZXHLCKHKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-13(2,3)20-12(19)17-11-6-10(4-5-15-11)18-8-9(14)7-16-18/h4-8H,1-3H3,(H,15,17,19).
What are the key properties of tert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate?
tert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate has a molecular weight of 339.19 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 156773284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).