5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine

C13H17BrN4 — CID 114263243

IUPAC5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine
SMILESCc1cc(Nc2cn(C)nc2C(C)C)ncc1Br
InChIInChI=1S/C13H17BrN4/c1-8(2)13-11(7-18(4)17-13)16-12-5-9(3)10(14)6-15-12/h5-8H,1-4H3,(H,15,16)
InChIKeyJWBGMPBFBZQTJP-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.75
Rot. Bonds3

About 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine

5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 114263243) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID114263243
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine
SMILESCc1cc(Nc2cn(C)nc2C(C)C)ncc1Br
InChIInChI=1S/C13H17BrN4/c1-8(2)13-11(7-18(4)17-13)16-12-5-9(3)10(14)6-15-12/h5-8H,1-4H3,(H,15,16)
InChIKeyJWBGMPBFBZQTJP-UHFFFAOYSA-N
XLogP3.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine (CID 114263243) is 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine is Cc1cc(Nc2cn(C)nc2C(C)C)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is JWBGMPBFBZQTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-8(2)13-11(7-18(4)17-13)16-12-5-9(3)10(14)6-15-12/h5-8H,1-4H3,(H,15,16).
What are the key properties of 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine?
5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 309.21 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 114263243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).