N-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide

C13H15BrN4O2 — CID 126454671

IUPACN-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCCn2cc(Br)ccc2=O)cn1
InChIInChI=1S/C13H15BrN4O2/c1-2-18-8-10(7-16-18)13(20)15-5-6-17-9-11(14)3-4-12(17)19/h3-4,7-9H,2,5-6H2,1H3,(H,15,20)
InChIKeyGVVSZMSRLFLNKD-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.26
Rot. Bonds5

About N-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide

N-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide (PubChem CID 126454671) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is N-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide
PubChem CID126454671
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC NameN-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCCn2cc(Br)ccc2=O)cn1
InChIInChI=1S/C13H15BrN4O2/c1-2-18-8-10(7-16-18)13(20)15-5-6-17-9-11(14)3-4-12(17)19/h3-4,7-9H,2,5-6H2,1H3,(H,15,20)
InChIKeyGVVSZMSRLFLNKD-UHFFFAOYSA-N
XLogP1.26
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 71931193
1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460800
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-ethylpyrazole-4-carboxamide
CID 19281138
N-(2-amino-2-methylpropyl)-1-ethylpyrazole-4-carboxamide
CID 119627511
1-(4-bromophenyl)-N-hexylpyrazole-4-carboxamide
CID 55771523
1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119508703
(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 107944306
4-[[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]methyl]-N-butylbenzamide
CID 78872433
5-bromo-1-[2-(hexylamino)ethyl]pyridin-2-one
CID 62562112
(2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 114885499
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide (CID 126454671) is N-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)NCCn2cc(Br)ccc2=O)cn1.
What is the InChIKey of N-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide?
The InChIKey is GVVSZMSRLFLNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-2-18-8-10(7-16-18)13(20)15-5-6-17-9-11(14)3-4-12(17)19/h3-4,7-9H,2,5-6H2,1H3,(H,15,20).
What are the key properties of N-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide?
N-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide has a molecular weight of 339.19 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 126454671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).