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

C12H15BrN4 — CID 112670727

IUPAC5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCc1cn(C)nc1C
InChIInChI=1S/C12H15BrN4/c1-8-4-11(13)6-15-12(8)14-5-10-7-17(3)16-9(10)2/h4,6-7H,5H2,1-3H3,(H,14,15)
InChIKeyHVAUARSXTZKUFG-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.81
Rot. Bonds3

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

5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine (PubChem CID 112670727) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine
PubChem CID112670727
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCc1cn(C)nc1C
InChIInChI=1S/C12H15BrN4/c1-8-4-11(13)6-15-12(8)14-5-10-7-17(3)16-9(10)2/h4,6-7H,5H2,1-3H3,(H,14,15)
InChIKeyHVAUARSXTZKUFG-UHFFFAOYSA-N
XLogP2.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 113413721
3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine
CID 104507128
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine
CID 112676039
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 112671804
1-(5-bromo-2-pyridinyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112668648
2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine
CID 112668322
5-amino-6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 112671919
5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 112668337
5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine
CID 79718282
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one
CID 112670534
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
CID 114050786
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride
CID 126963966

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine (CID 112670727) is 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine is Cc1cc(Br)cnc1NCc1cn(C)nc1C.
What is the InChIKey of 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine?
The InChIKey is HVAUARSXTZKUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-8-4-11(13)6-15-12(8)14-5-10-7-17(3)16-9(10)2/h4,6-7H,5H2,1-3H3,(H,14,15).
What are the key properties of 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine?
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine has a molecular weight of 295.18 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 112670727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).