6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine

C13H17BrN4 — CID 114050711

IUPAC6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine
SMILESCc1nc(Br)ccc1NC(C)c1cn(C)nc1C
InChIInChI=1S/C13H17BrN4/c1-8(11-7-18(4)17-9(11)2)15-12-5-6-13(14)16-10(12)3/h5-8,15H,1-4H3
InChIKeyWDZUEEXBIWVWQN-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.37
Rot. Bonds3

About 6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine

6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine (PubChem CID 114050711) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine
PubChem CID114050711
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine
SMILESCc1nc(Br)ccc1NC(C)c1cn(C)nc1C
InChIInChI=1S/C13H17BrN4/c1-8(11-7-18(4)17-9(11)2)15-12-5-6-13(14)16-10(12)3/h5-8,15H,1-4H3
InChIKeyWDZUEEXBIWVWQN-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
CID 65197070
3-bromo-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile
CID 65192078
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline
CID 65192411
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline
CID 65191898
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline
CID 65192459
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 113354221
3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline
CID 65192307
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline
CID 65191841
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazol-3-amine
CID 65197071
6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 113431275
6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine
CID 114050661
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65197115

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine?
The IUPAC name of 6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine (CID 114050711) is 6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine.
What is the SMILES notation for 6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine?
The canonical SMILES for 6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine is Cc1nc(Br)ccc1NC(C)c1cn(C)nc1C.
What is the InChIKey of 6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine?
The InChIKey is WDZUEEXBIWVWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-8(11-7-18(4)17-9(11)2)15-12-5-6-13(14)16-10(12)3/h5-8,15H,1-4H3.
What are the key properties of 6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine?
6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine has a molecular weight of 309.21 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine is sourced from PubChem (CID 114050711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).