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

C11H12Br2N4 — CID 113413721

IUPAC3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nn(C)cc1CNc1ncc(Br)cc1Br
InChIInChI=1S/C11H12Br2N4/c1-7-8(6-17(2)16-7)4-14-11-10(13)3-9(12)5-15-11/h3,5-6H,4H2,1-2H3,(H,14,15)
InChIKeyCTCOFZWZWBGXIK-UHFFFAOYSA-N
MW360.05 g/mol
LogP3.26
Rot. Bonds3

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

3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine (PubChem CID 113413721) has the molecular formula C11H12Br2N4 and a molecular weight of 360.05 g/mol. Its IUPAC name is 3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
PubChem CID113413721
Molecular FormulaC11H12Br2N4
Molecular Weight360.05 g/mol
Exact Mass357.94
IUPAC Name3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nn(C)cc1CNc1ncc(Br)cc1Br
InChIInChI=1S/C11H12Br2N4/c1-7-8(6-17(2)16-7)4-14-11-10(13)3-9(12)5-15-11/h3,5-6H,4H2,1-2H3,(H,14,15)
InChIKeyCTCOFZWZWBGXIK-UHFFFAOYSA-N
XLogP3.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.05
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine
CID 112670727
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
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
3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine
CID 12611962
3,5-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106374390
3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106373954
1-(4-bromo-5-methylthiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 102837233
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one
CID 112670534

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine (CID 113413721) is 3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine is Cc1nn(C)cc1CNc1ncc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is CTCOFZWZWBGXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N4/c1-7-8(6-17(2)16-7)4-14-11-10(13)3-9(12)5-15-11/h3,5-6H,4H2,1-2H3,(H,14,15).
What are the key properties of 3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine?
3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 360.05 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 113413721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).