3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane

C15H20Cl2N2 — CID 142566077

IUPAC3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane
SMILESCC.Cc1cn(C(C)C)nc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2.C2H6/c1-8(2)17-7-9(3)13(16-17)12-10(14)5-4-6-11(12)15;1-2/h4-8H,1-3H3;1-2H3
InChIKeySGLRMXNCGJEVRN-UHFFFAOYSA-N
MW299.25 g/mol
LogP5.77
Rot. Bonds2

About 3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane

3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane (PubChem CID 142566077) has the molecular formula C15H20Cl2N2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane
PubChem CID142566077
Molecular FormulaC15H20Cl2N2
Molecular Weight299.25 g/mol
Exact Mass298.10
IUPAC Name3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane
SMILESCC.Cc1cn(C(C)C)nc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2.C2H6/c1-8(2)17-7-9(3)13(16-17)12-10(14)5-4-6-11(12)15;1-2/h4-8H,1-3H3;1-2H3
InChIKeySGLRMXNCGJEVRN-UHFFFAOYSA-N
XLogP5.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.25
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane?
The IUPAC name of 3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane (CID 142566077) is 3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane?
The canonical SMILES for 3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane is CC.Cc1cn(C(C)C)nc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane?
The InChIKey is SGLRMXNCGJEVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2.C2H6/c1-8(2)17-7-9(3)13(16-17)12-10(14)5-4-6-11(12)15;1-2/h4-8H,1-3H3;1-2H3.
What are the key properties of 3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane?
3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane has a molecular weight of 299.25 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane is sourced from PubChem (CID 142566077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).