5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine

C12H15BrN4 — CID 62040259

IUPAC5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine
SMILESCc1[nH]ncc1CCCNc1ccc(Br)cn1
InChIInChI=1S/C12H15BrN4/c1-9-10(7-16-17-9)3-2-6-14-12-5-4-11(13)8-15-12/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyAOLVJCBZURQJPT-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.92
Rot. Bonds5

About 5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine

5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine (PubChem CID 62040259) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine
PubChem CID62040259
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine
SMILESCc1[nH]ncc1CCCNc1ccc(Br)cn1
InChIInChI=1S/C12H15BrN4/c1-9-10(7-16-17-9)3-2-6-14-12-5-4-11(13)8-15-12/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyAOLVJCBZURQJPT-UHFFFAOYSA-N
XLogP2.92
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine (CID 62040259) is 5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine is Cc1[nH]ncc1CCCNc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine?
The InChIKey is AOLVJCBZURQJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-9-10(7-16-17-9)3-2-6-14-12-5-4-11(13)8-15-12/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine?
5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine has a molecular weight of 295.18 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 62040259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).