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

C11H12BrN5O2 — CID 103768236

IUPAC5-bromo-N-[2-(4-methylpyrazol-1-yl)ethyl]-3-nitropyridin-2-amine
SMILESCc1cnn(CCNc2ncc(Br)cc2[N+](=O)[O-])c1
InChIInChI=1S/C11H12BrN5O2/c1-8-5-15-16(7-8)3-2-13-11-10(17(18)19)4-9(12)6-14-11/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeyAPKQFWWMUBRBAK-UHFFFAOYSA-N
MW326.15 g/mol
LogP2.37
Rot. Bonds5

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

5-bromo-N-[2-(4-methylpyrazol-1-yl)ethyl]-3-nitropyridin-2-amine (PubChem CID 103768236) has the molecular formula C11H12BrN5O2 and a molecular weight of 326.15 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-methylpyrazol-1-yl)ethyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(4-methylpyrazol-1-yl)ethyl]-3-nitropyridin-2-amine
PubChem CID103768236
Molecular FormulaC11H12BrN5O2
Molecular Weight326.15 g/mol
Exact Mass325.02
IUPAC Name5-bromo-N-[2-(4-methylpyrazol-1-yl)ethyl]-3-nitropyridin-2-amine
SMILESCc1cnn(CCNc2ncc(Br)cc2[N+](=O)[O-])c1
InChIInChI=1S/C11H12BrN5O2/c1-8-5-15-16(7-8)3-2-13-11-10(17(18)19)4-9(12)6-14-11/h4-7H,2-3H2,1H3,(H,13,14)
InChIKeyAPKQFWWMUBRBAK-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'}

Analyze 5-bromo-N-[2-(4-methylpyrazol-1-yl)ethyl]-3-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-methylpyrazol-1-yl)ethyl]-3-nitropyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(4-methylpyrazol-1-yl)ethyl]-3-nitropyridin-2-amine (CID 103768236) is 5-bromo-N-[2-(4-methylpyrazol-1-yl)ethyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(4-methylpyrazol-1-yl)ethyl]-3-nitropyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(4-methylpyrazol-1-yl)ethyl]-3-nitropyridin-2-amine is Cc1cnn(CCNc2ncc(Br)cc2[N+](=O)[O-])c1.
What is the InChIKey of 5-bromo-N-[2-(4-methylpyrazol-1-yl)ethyl]-3-nitropyridin-2-amine?
The InChIKey is APKQFWWMUBRBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2/c1-8-5-15-16(7-8)3-2-13-11-10(17(18)19)4-9(12)6-14-11/h4-7H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-[2-(4-methylpyrazol-1-yl)ethyl]-3-nitropyridin-2-amine?
5-bromo-N-[2-(4-methylpyrazol-1-yl)ethyl]-3-nitropyridin-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 5-bromo-N-[2-(4-methylpyrazol-1-yl)ethyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 103768236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).