tert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate

C18H20BrN5O2 — CID 146020705

IUPACtert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1cc(-c2cnc3ccc(Br)cc3n2)cn1
InChIInChI=1S/C18H20BrN5O2/c1-18(2,3)26-17(25)20-6-7-24-11-12(9-22-24)16-10-21-14-5-4-13(19)8-15(14)23-16/h4-5,8-11H,6-7H2,1-3H3,(H,20,25)
InChIKeyFTTOQXGKWIUEAU-UHFFFAOYSA-N
MW418.30 g/mol
LogP3.78
Rot. Bonds4

About tert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate

tert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate (PubChem CID 146020705) has the molecular formula C18H20BrN5O2 and a molecular weight of 418.30 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate
PubChem CID146020705
Molecular FormulaC18H20BrN5O2
Molecular Weight418.30 g/mol
Exact Mass417.08
IUPAC Nametert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1cc(-c2cnc3ccc(Br)cc3n2)cn1
InChIInChI=1S/C18H20BrN5O2/c1-18(2,3)26-17(25)20-6-7-24-11-12(9-22-24)16-10-21-14-5-4-13(19)8-15(14)23-16/h4-5,8-11H,6-7H2,1-3H3,(H,20,25)
InChIKeyFTTOQXGKWIUEAU-UHFFFAOYSA-N
XLogP3.78
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate
CID 170778380
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tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate
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tert-butyl N-[2-[4-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethyl]carbamate
CID 171115701
tert-butyl N-[2-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenoxy]ethyl]carbamate
CID 170106812
tert-butyl N-[2-[(5-bromo-1,3-benzoxazol-2-yl)amino]ethyl]carbamate
CID 162755847
tert-butyl N-[2-[4-(4-amino-2-fluoro-3-methylphenyl)pyrazol-1-yl]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate (CID 146020705) is tert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCn1cc(-c2cnc3ccc(Br)cc3n2)cn1.
What is the InChIKey of tert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate?
The InChIKey is FTTOQXGKWIUEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O2/c1-18(2,3)26-17(25)20-6-7-24-11-12(9-22-24)16-10-21-14-5-4-13(19)8-15(14)23-16/h4-5,8-11H,6-7H2,1-3H3,(H,20,25).
What are the key properties of tert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate?
tert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate has a molecular weight of 418.30 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate is sourced from PubChem (CID 146020705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).