1-(4-chlorophenyl)-4-ethenylpyrazole

C11H9ClN2 — CID 22001201

IUPAC1-(4-chlorophenyl)-4-ethenylpyrazole
SMILESC=Cc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C11H9ClN2/c1-2-9-7-13-14(8-9)11-5-3-10(12)4-6-11/h2-8H,1H2
InChIKeyCMAARNZAIVVHSZ-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.17
Rot. Bonds2

About 1-(4-chlorophenyl)-4-ethenylpyrazole

1-(4-chlorophenyl)-4-ethenylpyrazole (PubChem CID 22001201) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-ethenylpyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-ethenylpyrazole
PubChem CID22001201
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name1-(4-chlorophenyl)-4-ethenylpyrazole
SMILESC=Cc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C11H9ClN2/c1-2-9-7-13-14(8-9)11-5-3-10(12)4-6-11/h2-8H,1H2
InChIKeyCMAARNZAIVVHSZ-UHFFFAOYSA-N
XLogP3.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-ethenylpyrazole?
The IUPAC name of 1-(4-chlorophenyl)-4-ethenylpyrazole (CID 22001201) is 1-(4-chlorophenyl)-4-ethenylpyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-4-ethenylpyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-4-ethenylpyrazole is C=Cc1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-4-ethenylpyrazole?
The InChIKey is CMAARNZAIVVHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c1-2-9-7-13-14(8-9)11-5-3-10(12)4-6-11/h2-8H,1H2.
What are the key properties of 1-(4-chlorophenyl)-4-ethenylpyrazole?
1-(4-chlorophenyl)-4-ethenylpyrazole has a molecular weight of 204.66 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-ethenylpyrazole is sourced from PubChem (CID 22001201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).