3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine

C11H12BrN5O2 — CID 104507865

IUPAC3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
SMILESCc1c([N+](=O)[O-])cnc(NCCn2cccn2)c1Br
InChIInChI=1S/C11H12BrN5O2/c1-8-9(17(18)19)7-14-11(10(8)12)13-4-6-16-5-2-3-15-16/h2-3,5,7H,4,6H2,1H3,(H,13,14)
InChIKeyGIDPEDBVWOLAKT-UHFFFAOYSA-N
MW326.15 g/mol
LogP2.37
Rot. Bonds5

About 3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine

3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine (PubChem CID 104507865) has the molecular formula C11H12BrN5O2 and a molecular weight of 326.15 g/mol. Its IUPAC name is 3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
PubChem CID104507865
Molecular FormulaC11H12BrN5O2
Molecular Weight326.15 g/mol
Exact Mass325.02
IUPAC Name3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
SMILESCc1c([N+](=O)[O-])cnc(NCCn2cccn2)c1Br
InChIInChI=1S/C11H12BrN5O2/c1-8-9(17(18)19)7-14-11(10(8)12)13-4-6-16-5-2-3-15-16/h2-3,5,7H,4,6H2,1H3,(H,13,14)
InChIKeyGIDPEDBVWOLAKT-UHFFFAOYSA-N
XLogP2.37
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 52.37
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

3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine
CID 113420419
3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 104507908
3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 61068526
3-bromo-N-but-3-ynyl-4-methyl-5-nitropyridin-2-amine
CID 104508007
6-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol
CID 104576591
3-bromo-4-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 104508079
3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine
CID 113420539
6-N-ethyl-5-nitro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80809506
N-[3-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]propyl]methanesulfonamide
CID 104576353
6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808342
3-bromo-N-(2,2-difluoroethyl)-4-methyl-5-nitropyridin-2-amine
CID 104508108
N'-(3-bromo-4-methyl-5-nitro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 104508181

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine (CID 104507865) is 3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine is Cc1c([N+](=O)[O-])cnc(NCCn2cccn2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine?
The InChIKey is GIDPEDBVWOLAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2/c1-8-9(17(18)19)7-14-11(10(8)12)13-4-6-16-5-2-3-15-16/h2-3,5,7H,4,6H2,1H3,(H,13,14).
What are the key properties of 3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine?
3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine has a molecular weight of 326.15 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 104507865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).