[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine

C11H13BrN4 — CID 115487122

IUPAC[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine
SMILESCc1nn(-c2ccc(CN)nc2)c(C)c1Br
InChIInChI=1S/C11H13BrN4/c1-7-11(12)8(2)16(15-7)10-4-3-9(5-13)14-6-10/h3-4,6H,5,13H2,1-2H3
InChIKeyDYPCKYXHTJOAGK-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.11
Rot. Bonds2

About [5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine

[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine (PubChem CID 115487122) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is [5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine
PubChem CID115487122
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine
SMILESCc1nn(-c2ccc(CN)nc2)c(C)c1Br
InChIInChI=1S/C11H13BrN4/c1-7-11(12)8(2)16(15-7)10-4-3-9(5-13)14-6-10/h3-4,6H,5,13H2,1-2H3
InChIKeyDYPCKYXHTJOAGK-UHFFFAOYSA-N
XLogP2.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine?
The IUPAC name of [5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine (CID 115487122) is [5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine is Cc1nn(-c2ccc(CN)nc2)c(C)c1Br.
What is the InChIKey of [5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine?
The InChIKey is DYPCKYXHTJOAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-7-11(12)8(2)16(15-7)10-4-3-9(5-13)14-6-10/h3-4,6H,5,13H2,1-2H3.
What are the key properties of [5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine?
[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine has a molecular weight of 281.16 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 115487122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).