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

C11H14BrN5 — CID 113420419

IUPAC3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NCCn2cccn2)c1Br
InChIInChI=1S/C11H14BrN5/c1-8-9(13)7-15-11(10(8)12)14-4-6-17-5-2-3-16-17/h2-3,5,7H,4,6,13H2,1H3,(H,14,15)
InChIKeyXOBPTOFNIQGJCZ-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.04
Rot. Bonds4

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

3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine (PubChem CID 113420419) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine
PubChem CID113420419
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NCCn2cccn2)c1Br
InChIInChI=1S/C11H14BrN5/c1-8-9(13)7-15-11(10(8)12)14-4-6-17-5-2-3-16-17/h2-3,5,7H,4,6,13H2,1H3,(H,14,15)
InChIKeyXOBPTOFNIQGJCZ-UHFFFAOYSA-N
XLogP2.04
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine
CID 113420539
3-bromo-4-methyl-5-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 104507865
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
CID 114173719
5-bromo-3-fluoro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 104918929
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
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
CID 104506470
5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112697448
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759
5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80808338
5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile
CID 54951788

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine (CID 113420419) is 3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine is Cc1c(N)cnc(NCCn2cccn2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine?
The InChIKey is XOBPTOFNIQGJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-8-9(13)7-15-11(10(8)12)14-4-6-17-5-2-3-16-17/h2-3,5,7H,4,6,13H2,1H3,(H,14,15).
What are the key properties of 3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine?
3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine has a molecular weight of 296.17 g/mol, XLogP of 2.04, 4 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-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 113420419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).