3-(2,4-dichlorophenyl)-4-ethyl-4H-pyrazole

C11H10Cl2N2 — CID 118331702

IUPAC3-(2,4-dichlorophenyl)-4-ethyl-4H-pyrazole
SMILESCCC1C=NN=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2/c1-2-7-6-14-15-11(7)9-4-3-8(12)5-10(9)13/h3-7H,2H2,1H3
InChIKeyRMCVVHWMCCJJLW-UHFFFAOYSA-N
MW241.12 g/mol
LogP3.81
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-4-ethyl-4H-pyrazole

3-(2,4-dichlorophenyl)-4-ethyl-4H-pyrazole (PubChem CID 118331702) has the molecular formula C11H10Cl2N2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-ethyl-4H-pyrazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-ethyl-4H-pyrazole
PubChem CID118331702
Molecular FormulaC11H10Cl2N2
Molecular Weight241.12 g/mol
Exact Mass240.02
IUPAC Name3-(2,4-dichlorophenyl)-4-ethyl-4H-pyrazole
SMILESCCC1C=NN=C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2/c1-2-7-6-14-15-11(7)9-4-3-8(12)5-10(9)13/h3-7H,2H2,1H3
InChIKeyRMCVVHWMCCJJLW-UHFFFAOYSA-N
XLogP3.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-ethyl-4H-pyrazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-ethyl-4H-pyrazole (CID 118331702) is 3-(2,4-dichlorophenyl)-4-ethyl-4H-pyrazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-ethyl-4H-pyrazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-ethyl-4H-pyrazole is CCC1C=NN=C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-ethyl-4H-pyrazole?
The InChIKey is RMCVVHWMCCJJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2/c1-2-7-6-14-15-11(7)9-4-3-8(12)5-10(9)13/h3-7H,2H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-4-ethyl-4H-pyrazole?
3-(2,4-dichlorophenyl)-4-ethyl-4H-pyrazole has a molecular weight of 241.12 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-ethyl-4H-pyrazole is sourced from PubChem (CID 118331702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).