2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine

C10H11BrN4 — CID 62129713

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine
SMILESCc1nn(-c2ncccc2N)c(C)c1Br
InChIInChI=1S/C10H11BrN4/c1-6-9(11)7(2)15(14-6)10-8(12)4-3-5-13-10/h3-5H,12H2,1-2H3
InChIKeyVEDGHSXMKRCUNV-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.23
Rot. Bonds1

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine

2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine (PubChem CID 62129713) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine
PubChem CID62129713
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine
SMILESCc1nn(-c2ncccc2N)c(C)c1Br
InChIInChI=1S/C10H11BrN4/c1-6-9(11)7(2)15(14-6)10-8(12)4-3-5-13-10/h3-5H,12H2,1-2H3
InChIKeyVEDGHSXMKRCUNV-UHFFFAOYSA-N
XLogP2.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine (CID 62129713) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine is Cc1nn(-c2ncccc2N)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine?
The InChIKey is VEDGHSXMKRCUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-6-9(11)7(2)15(14-6)10-8(12)4-3-5-13-10/h3-5H,12H2,1-2H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine has a molecular weight of 267.13 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 62129713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).