5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine

C12H16BrN5 — CID 114262574

IUPAC5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine
SMILESCC(C)c1nn(C)cc1Nc1ncc(Br)cc1N
InChIInChI=1S/C12H16BrN5/c1-7(2)11-10(6-18(3)17-11)16-12-9(14)4-8(13)5-15-12/h4-7H,14H2,1-3H3,(H,15,16)
InChIKeyOKDXTHMWHKXFOG-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.03
Rot. Bonds3

About 5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine

5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine (PubChem CID 114262574) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine
PubChem CID114262574
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine
SMILESCC(C)c1nn(C)cc1Nc1ncc(Br)cc1N
InChIInChI=1S/C12H16BrN5/c1-7(2)11-10(6-18(3)17-11)16-12-9(14)4-8(13)5-15-12/h4-7H,14H2,1-3H3,(H,15,16)
InChIKeyOKDXTHMWHKXFOG-UHFFFAOYSA-N
XLogP3.03
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine (CID 114262574) is 5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine is CC(C)c1nn(C)cc1Nc1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine?
The InChIKey is OKDXTHMWHKXFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-7(2)11-10(6-18(3)17-11)16-12-9(14)4-8(13)5-15-12/h4-7H,14H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine?
5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine has a molecular weight of 310.20 g/mol, XLogP of 3.03, 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-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine is sourced from PubChem (CID 114262574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).