3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine

C11H12BrN5O2 — CID 103908160

IUPAC3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine
SMILESCCc1nn(C)cc1Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H12BrN5O2/c1-3-9-10(6-16(2)15-9)14-11-8(12)4-7(5-13-11)17(18)19/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyPXALMXKLTQYPPS-UHFFFAOYSA-N
MW326.15 g/mol
LogP2.79
Rot. Bonds4

About 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine

3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine (PubChem CID 103908160) has the molecular formula C11H12BrN5O2 and a molecular weight of 326.15 g/mol. Its IUPAC name is 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine
PubChem CID103908160
Molecular FormulaC11H12BrN5O2
Molecular Weight326.15 g/mol
Exact Mass325.02
IUPAC Name3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine
SMILESCCc1nn(C)cc1Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H12BrN5O2/c1-3-9-10(6-16(2)15-9)14-11-8(12)4-7(5-13-11)17(18)19/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyPXALMXKLTQYPPS-UHFFFAOYSA-N
XLogP2.79
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine
CID 103908163
3-ethyl-1-methyl-N-(2-methyl-5-nitrophenyl)pyrazol-4-amine
CID 107463745
3-ethyl-N-(3-hydrazinyl-5-nitrophenyl)-1-methylpyrazol-4-amine
CID 107465279
6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-4-nitropyridin-2-amine
CID 114070886
N-(1,3-dimethylpyrazol-4-yl)-3-methyl-5-nitropyridin-2-amine
CID 103894571
N-(3-ethyl-1-methylpyrazol-4-yl)-2-nitropyridin-3-amine
CID 113349603
2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide
CID 112696597
5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 107465162
3-bromo-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5-nitropyridin-2-amine
CID 133449094
N-(3-ethyl-1-methylpyrazol-4-yl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107465281
3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870
3-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-nitropyridin-2-amine
CID 79534428

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine?
The IUPAC name of 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine (CID 103908160) is 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine is CCc1nn(C)cc1Nc1ncc([N+](=O)[O-])cc1Br.
What is the InChIKey of 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine?
The InChIKey is PXALMXKLTQYPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2/c1-3-9-10(6-16(2)15-9)14-11-8(12)4-7(5-13-11)17(18)19/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine?
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine has a molecular weight of 326.15 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-5-nitropyridin-2-amine is sourced from PubChem (CID 103908160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).