1-(3-chloro-4-ethylphenyl)pyrazole

C11H11ClN2 — CID 70883363

IUPAC1-(3-chloro-4-ethylphenyl)pyrazole
SMILESCCc1ccc(-n2cccn2)cc1Cl
InChIInChI=1S/C11H11ClN2/c1-2-9-4-5-10(8-11(9)12)14-7-3-6-13-14/h3-8H,2H2,1H3
InChIKeyQSZAUZHBXMSDLS-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.09
Rot. Bonds2

About 1-(3-chloro-4-ethylphenyl)pyrazole

1-(3-chloro-4-ethylphenyl)pyrazole (PubChem CID 70883363) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 1-(3-chloro-4-ethylphenyl)pyrazole.

Molecular Properties

Compound Name1-(3-chloro-4-ethylphenyl)pyrazole
PubChem CID70883363
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name1-(3-chloro-4-ethylphenyl)pyrazole
SMILESCCc1ccc(-n2cccn2)cc1Cl
InChIInChI=1S/C11H11ClN2/c1-2-9-4-5-10(8-11(9)12)14-7-3-6-13-14/h3-8H,2H2,1H3
InChIKeyQSZAUZHBXMSDLS-UHFFFAOYSA-N
XLogP3.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethylphenyl)pyrazole?
The IUPAC name of 1-(3-chloro-4-ethylphenyl)pyrazole (CID 70883363) is 1-(3-chloro-4-ethylphenyl)pyrazole.
What is the SMILES notation for 1-(3-chloro-4-ethylphenyl)pyrazole?
The canonical SMILES for 1-(3-chloro-4-ethylphenyl)pyrazole is CCc1ccc(-n2cccn2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-ethylphenyl)pyrazole?
The InChIKey is QSZAUZHBXMSDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-2-9-4-5-10(8-11(9)12)14-7-3-6-13-14/h3-8H,2H2,1H3.
What are the key properties of 1-(3-chloro-4-ethylphenyl)pyrazole?
1-(3-chloro-4-ethylphenyl)pyrazole has a molecular weight of 206.68 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethylphenyl)pyrazole is sourced from PubChem (CID 70883363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).