3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine

C12H16BrN5 — CID 113420539

IUPAC3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NCCCn2cccn2)c1Br
InChIInChI=1S/C12H16BrN5/c1-9-10(14)8-16-12(11(9)13)15-4-2-6-18-7-3-5-17-18/h3,5,7-8H,2,4,6,14H2,1H3,(H,15,16)
InChIKeyIJKUOQYHNOZBNT-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.43
Rot. Bonds5

About 3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine

3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine (PubChem CID 113420539) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine
PubChem CID113420539
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NCCCn2cccn2)c1Br
InChIInChI=1S/C12H16BrN5/c1-9-10(14)8-16-12(11(9)13)15-4-2-6-18-7-3-5-17-18/h3,5,7-8H,2,4,6,14H2,1H3,(H,15,16)
InChIKeyIJKUOQYHNOZBNT-UHFFFAOYSA-N
XLogP2.43
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112697448
3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 104507865
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
CID 104506470
3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
CID 114173719
3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
CID 104506472
3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 104506284
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106334627
4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106748029
N-(3-pyrazol-1-ylpropyl)pyrazin-2-amine
CID 115580003
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759
5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine
CID 105369599

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine (CID 113420539) is 3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine is Cc1c(N)cnc(NCCCn2cccn2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine?
The InChIKey is IJKUOQYHNOZBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-9-10(14)8-16-12(11(9)13)15-4-2-6-18-7-3-5-17-18/h3,5,7-8H,2,4,6,14H2,1H3,(H,15,16).
What are the key properties of 3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine?
3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine has a molecular weight of 310.20 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine is sourced from PubChem (CID 113420539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).