2-[3-(3-bromo-2-pyridinyl)-4-methylpyrazol-1-yl]-2-methylpropanal;ethane

C15H20BrN3O — CID 142565781

IUPAC2-[3-(3-bromo-2-pyridinyl)-4-methylpyrazol-1-yl]-2-methylpropanal;ethane
SMILESCC.Cc1cn(C(C)(C)C=O)nc1-c1ncccc1Br
InChIInChI=1S/C13H14BrN3O.C2H6/c1-9-7-17(13(2,3)8-18)16-11(9)12-10(14)5-4-6-15-12;1-2/h4-8H,1-3H3;1-2H3
InChIKeyRDAMWZDPNQEAAX-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.98
Rot. Bonds3

About 2-[3-(3-bromo-2-pyridinyl)-4-methylpyrazol-1-yl]-2-methylpropanal;ethane

2-[3-(3-bromo-2-pyridinyl)-4-methylpyrazol-1-yl]-2-methylpropanal;ethane (PubChem CID 142565781) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-[3-(3-bromo-2-pyridinyl)-4-methylpyrazol-1-yl]-2-methylpropanal;ethane.

Molecular Properties

Compound Name2-[3-(3-bromo-2-pyridinyl)-4-methylpyrazol-1-yl]-2-methylpropanal;ethane
PubChem CID142565781
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name2-[3-(3-bromo-2-pyridinyl)-4-methylpyrazol-1-yl]-2-methylpropanal;ethane
SMILESCC.Cc1cn(C(C)(C)C=O)nc1-c1ncccc1Br
InChIInChI=1S/C13H14BrN3O.C2H6/c1-9-7-17(13(2,3)8-18)16-11(9)12-10(14)5-4-6-15-12;1-2/h4-8H,1-3H3;1-2H3
InChIKeyRDAMWZDPNQEAAX-UHFFFAOYSA-N
XLogP3.98
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanal
CID 142565919
2-(3-bromo-2-pyridinyl)-3-ethylpyridine
CID 167433763
3-bromo-2-(2,4,6-trimethylphenyl)pyridine
CID 160653296
3-bromo-2-(2,4-dimethylphenyl)pyridine
CID 83920163
3-methyl-2-(4-methyl-1-propan-2-ylpyrazol-3-yl)pyridine
CID 142565987
5-(3-bromo-2-pyridinyl)-4-tert-butyl-1,2,4-triazole-3-sulfonyl chloride
CID 107526470
2-[4-cyclopropyl-3-(2-fluorophenyl)pyrazol-1-yl]-2-methylpropanal
CID 142565779
2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione
CID 103430551
3-bromo-2-[2-[2-(3-bromo-2-pyridinyl)phenyl]phenyl]pyridine
CID 102358252
3-[5-(3-bromo-2-pyridinyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 107526435
2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine
CID 113398187
2-bromo-3-methylpyridine;ethane
CID 143610978

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromo-2-pyridinyl)-4-methylpyrazol-1-yl]-2-methylpropanal;ethane?
The IUPAC name of 2-[3-(3-bromo-2-pyridinyl)-4-methylpyrazol-1-yl]-2-methylpropanal;ethane (CID 142565781) is 2-[3-(3-bromo-2-pyridinyl)-4-methylpyrazol-1-yl]-2-methylpropanal;ethane.
What is the SMILES notation for 2-[3-(3-bromo-2-pyridinyl)-4-methylpyrazol-1-yl]-2-methylpropanal;ethane?
The canonical SMILES for 2-[3-(3-bromo-2-pyridinyl)-4-methylpyrazol-1-yl]-2-methylpropanal;ethane is CC.Cc1cn(C(C)(C)C=O)nc1-c1ncccc1Br.
What is the InChIKey of 2-[3-(3-bromo-2-pyridinyl)-4-methylpyrazol-1-yl]-2-methylpropanal;ethane?
The InChIKey is RDAMWZDPNQEAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O.C2H6/c1-9-7-17(13(2,3)8-18)16-11(9)12-10(14)5-4-6-15-12;1-2/h4-8H,1-3H3;1-2H3.
What are the key properties of 2-[3-(3-bromo-2-pyridinyl)-4-methylpyrazol-1-yl]-2-methylpropanal;ethane?
2-[3-(3-bromo-2-pyridinyl)-4-methylpyrazol-1-yl]-2-methylpropanal;ethane has a molecular weight of 338.25 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromo-2-pyridinyl)-4-methylpyrazol-1-yl]-2-methylpropanal;ethane is sourced from PubChem (CID 142565781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).