3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane

C13H18ClN3 — CID 165393306

IUPAC3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane
SMILESCC.Cc1cc(C)n(-c2nccc(C)c2Cl)n1
InChIInChI=1S/C11H12ClN3.C2H6/c1-7-4-5-13-11(10(7)12)15-9(3)6-8(2)14-15;1-2/h4-6H,1-3H3;1-2H3
InChIKeyATLNMWSYOYECTD-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.87
Rot. Bonds1

About 3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane

3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane (PubChem CID 165393306) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane.

Molecular Properties

Compound Name3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane
PubChem CID165393306
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane
SMILESCC.Cc1cc(C)n(-c2nccc(C)c2Cl)n1
InChIInChI=1S/C11H12ClN3.C2H6/c1-7-4-5-13-11(10(7)12)15-9(3)6-8(2)14-15;1-2/h4-6H,1-3H3;1-2H3
InChIKeyATLNMWSYOYECTD-UHFFFAOYSA-N
XLogP3.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane?
The IUPAC name of 3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane (CID 165393306) is 3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane.
What is the SMILES notation for 3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane?
The canonical SMILES for 3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane is CC.Cc1cc(C)n(-c2nccc(C)c2Cl)n1.
What is the InChIKey of 3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane?
The InChIKey is ATLNMWSYOYECTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3.C2H6/c1-7-4-5-13-11(10(7)12)15-9(3)6-8(2)14-15;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of 3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane?
3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane has a molecular weight of 251.76 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;ethane is sourced from PubChem (CID 165393306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).