4-bromo-N-methyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine

C11H13BrN4 — CID 86798094

IUPAC4-bromo-N-methyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
SMILESCN(CCn1cccn1)c1cc(Br)ccn1
InChIInChI=1S/C11H13BrN4/c1-15(7-8-16-6-2-4-14-16)11-9-10(12)3-5-13-11/h2-6,9H,7-8H2,1H3
InChIKeyVUTHWFZSBJDUNW-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.18
Rot. Bonds4

About 4-bromo-N-methyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine

4-bromo-N-methyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine (PubChem CID 86798094) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
PubChem CID86798094
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name4-bromo-N-methyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
SMILESCN(CCn1cccn1)c1cc(Br)ccn1
InChIInChI=1S/C11H13BrN4/c1-15(7-8-16-6-2-4-14-16)11-9-10(12)3-5-13-11/h2-6,9H,7-8H2,1H3
InChIKeyVUTHWFZSBJDUNW-UHFFFAOYSA-N
XLogP2.18
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine?
The IUPAC name of 4-bromo-N-methyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine (CID 86798094) is 4-bromo-N-methyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 4-bromo-N-methyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 4-bromo-N-methyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine is CN(CCn1cccn1)c1cc(Br)ccn1.
What is the InChIKey of 4-bromo-N-methyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine?
The InChIKey is VUTHWFZSBJDUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-15(7-8-16-6-2-4-14-16)11-9-10(12)3-5-13-11/h2-6,9H,7-8H2,1H3.
What are the key properties of 4-bromo-N-methyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine?
4-bromo-N-methyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine has a molecular weight of 281.16 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 86798094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).