5-(2,4-dichloro-6-methylphenyl)-4-ethyl-1-methylpyrazole

C13H14Cl2N2 — CID 67481203

IUPAC5-(2,4-dichloro-6-methylphenyl)-4-ethyl-1-methylpyrazole
SMILESCCc1cnn(C)c1-c1c(C)cc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2/c1-4-9-7-16-17(3)13(9)12-8(2)5-10(14)6-11(12)15/h5-7H,4H2,1-3H3
InChIKeyFXCRSSCJQZOMED-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.26
Rot. Bonds2

About 5-(2,4-dichloro-6-methylphenyl)-4-ethyl-1-methylpyrazole

5-(2,4-dichloro-6-methylphenyl)-4-ethyl-1-methylpyrazole (PubChem CID 67481203) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 5-(2,4-dichloro-6-methylphenyl)-4-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name5-(2,4-dichloro-6-methylphenyl)-4-ethyl-1-methylpyrazole
PubChem CID67481203
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name5-(2,4-dichloro-6-methylphenyl)-4-ethyl-1-methylpyrazole
SMILESCCc1cnn(C)c1-c1c(C)cc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2/c1-4-9-7-16-17(3)13(9)12-8(2)5-10(14)6-11(12)15/h5-7H,4H2,1-3H3
InChIKeyFXCRSSCJQZOMED-UHFFFAOYSA-N
XLogP4.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichloro-6-methylphenyl)-4-ethyl-1-methylpyrazole?
The IUPAC name of 5-(2,4-dichloro-6-methylphenyl)-4-ethyl-1-methylpyrazole (CID 67481203) is 5-(2,4-dichloro-6-methylphenyl)-4-ethyl-1-methylpyrazole.
What is the SMILES notation for 5-(2,4-dichloro-6-methylphenyl)-4-ethyl-1-methylpyrazole?
The canonical SMILES for 5-(2,4-dichloro-6-methylphenyl)-4-ethyl-1-methylpyrazole is CCc1cnn(C)c1-c1c(C)cc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichloro-6-methylphenyl)-4-ethyl-1-methylpyrazole?
The InChIKey is FXCRSSCJQZOMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-4-9-7-16-17(3)13(9)12-8(2)5-10(14)6-11(12)15/h5-7H,4H2,1-3H3.
What are the key properties of 5-(2,4-dichloro-6-methylphenyl)-4-ethyl-1-methylpyrazole?
5-(2,4-dichloro-6-methylphenyl)-4-ethyl-1-methylpyrazole has a molecular weight of 269.18 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichloro-6-methylphenyl)-4-ethyl-1-methylpyrazole is sourced from PubChem (CID 67481203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).