1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole

C13H14Cl2N2 — CID 50888272

IUPAC1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole
SMILESCCc1c(C)nn(-c2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C13H14Cl2N2/c1-4-10-8(2)16-17(9(10)3)12-7-5-6-11(14)13(12)15/h5-7H,4H2,1-3H3
InChIKeyJPNNKYPYINEJIN-UHFFFAOYSA-N
MW269.17 g/mol
LogP4.36
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole

1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole (PubChem CID 50888272) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole
PubChem CID50888272
Molecular FormulaC13H14Cl2N2
Molecular Weight269.17 g/mol
Exact Mass268.05
IUPAC Name1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole
SMILESCCc1c(C)nn(-c2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C13H14Cl2N2/c1-4-10-8(2)16-17(9(10)3)12-7-5-6-11(14)13(12)15/h5-7H,4H2,1-3H3
InChIKeyJPNNKYPYINEJIN-UHFFFAOYSA-N
XLogP4.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238668
4-ethyl-1-(2-methoxy-3-methylphenyl)-3,5-dimethylpyrazole
CID 154383743
2-[1-(3-chloro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 82091408
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 61237598
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol
CID 61237972
5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 114844619
N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 62128517
[1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 82482823
2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline
CID 62477705
N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61238667
N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine
CID 115995433

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole (CID 50888272) is 1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole is CCc1c(C)nn(-c2cccc(Cl)c2Cl)c1C.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole?
The InChIKey is JPNNKYPYINEJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-4-10-8(2)16-17(9(10)3)12-7-5-6-11(14)13(12)15/h5-7H,4H2,1-3H3.
What are the key properties of 1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole?
1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole has a molecular weight of 269.17 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole is sourced from PubChem (CID 50888272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).