5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine

C11H14BrN5 — CID 106035477

IUPAC5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine
SMILESCc1c(CNc2ncc(Br)cc2N)cnn1C
InChIInChI=1S/C11H14BrN5/c1-7-8(5-16-17(7)2)4-14-11-10(13)3-9(12)6-15-11/h3,5-6H,4,13H2,1-2H3,(H,14,15)
InChIKeyIGUGWKRWNVLDBP-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.08
Rot. Bonds3

About 5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine

5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine (PubChem CID 106035477) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine
PubChem CID106035477
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine
SMILESCc1c(CNc2ncc(Br)cc2N)cnn1C
InChIInChI=1S/C11H14BrN5/c1-7-8(5-16-17(7)2)4-14-11-10(13)3-9(12)6-15-11/h3,5-6H,4,13H2,1-2H3,(H,14,15)
InChIKeyIGUGWKRWNVLDBP-UHFFFAOYSA-N
XLogP2.08
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine
CID 106035329
3-chloro-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 106035405
5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
CID 63293701
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79578438
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 106049939
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 106035268
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 106041373
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79579238
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 106035379
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 106040838
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 114139819
5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine
CID 63305917

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine (CID 106035477) is 5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine is Cc1c(CNc2ncc(Br)cc2N)cnn1C.
What is the InChIKey of 5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine?
The InChIKey is IGUGWKRWNVLDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-7-8(5-16-17(7)2)4-14-11-10(13)3-9(12)6-15-11/h3,5-6H,4,13H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine?
5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine has a molecular weight of 296.17 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 106035477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).