5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole

C11H9Cl3N2 — CID 66021764

IUPAC5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole
SMILESCCc1cc(Cl)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl3N2/c1-2-8-6-11(14)16(15-8)10-4-3-7(12)5-9(10)13/h3-6H,2H2,1H3
InChIKeyXKIYOFODNTWOAM-UHFFFAOYSA-N
MW275.57 g/mol
LogP4.39
Rot. Bonds2

About 5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole

5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole (PubChem CID 66021764) has the molecular formula C11H9Cl3N2 and a molecular weight of 275.57 g/mol. Its IUPAC name is 5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole.

Molecular Properties

Compound Name5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole
PubChem CID66021764
Molecular FormulaC11H9Cl3N2
Molecular Weight275.57 g/mol
Exact Mass273.98
IUPAC Name5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole
SMILESCCc1cc(Cl)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl3N2/c1-2-8-6-11(14)16(15-8)10-4-3-7(12)5-9(10)13/h3-6H,2H2,1H3
InChIKeyXKIYOFODNTWOAM-UHFFFAOYSA-N
XLogP4.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.57
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methylphenyl)-3-ethylpyrazol-5-amine
CID 82083527
4-(5-chloro-3-ethylpyrazol-1-yl)pyridine
CID 66020979
5-chloro-3-ethyl-1-(4-fluorophenyl)pyrazole
CID 66021561
1-(2-chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole
CID 160742937
1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
CID 114862591
5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82693817
[2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 82482816
3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide
CID 82700552
ethyl 1-(2,4-dichlorophenyl)-5-ethyl-4-methylpyrazole-3-carboxylate
CID 10568187
1-(2,4-dichlorophenyl)-3,5-diethylpyrazole-4-carboxylic acid
CID 107430854
5-chloro-1-(2,4-dichlorophenyl)-3-ethyl-4-nitropyrazole
CID 66020319
1-(2,4-dichlorophenyl)-3,5-bis(3,4-dichlorophenyl)-4-methylpyrazole
CID 17025529

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole?
The IUPAC name of 5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole (CID 66021764) is 5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole.
What is the SMILES notation for 5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole?
The canonical SMILES for 5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole is CCc1cc(Cl)n(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole?
The InChIKey is XKIYOFODNTWOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N2/c1-2-8-6-11(14)16(15-8)10-4-3-7(12)5-9(10)13/h3-6H,2H2,1H3.
What are the key properties of 5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole?
5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole has a molecular weight of 275.57 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole is sourced from PubChem (CID 66021764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).