5-[2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole

C11H8Cl2N2 — CID 2805491

IUPAC5-[2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole
SMILESClc1cccc(Cl)c1C=Cc1ccn[nH]1
InChIInChI=1S/C11H8Cl2N2/c12-10-2-1-3-11(13)9(10)5-4-8-6-7-14-15-8/h1-7H,(H,14,15)
InChIKeyWTLCERBYPIMJNW-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.89
Rot. Bonds2

About 5-[2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole

5-[2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole (PubChem CID 2805491) has the molecular formula C11H8Cl2N2 and a molecular weight of 239.11 g/mol. Its IUPAC name is 5-[2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole
PubChem CID2805491
Molecular FormulaC11H8Cl2N2
Molecular Weight239.11 g/mol
Exact Mass238.01
IUPAC Name5-[2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole
SMILESClc1cccc(Cl)c1C=Cc1ccn[nH]1
InChIInChI=1S/C11H8Cl2N2/c12-10-2-1-3-11(13)9(10)5-4-8-6-7-14-15-8/h1-7H,(H,14,15)
InChIKeyWTLCERBYPIMJNW-UHFFFAOYSA-N
XLogP3.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-1H-pyrazole
CID 714291
3-phenyl-1H-pyrazole
CID 17155
4-Chloro-1H-indazole
CID 393037
4-(2-chlorophenyl)-3-methyl-1H-pyrazole
CID 2805460
3-(2,6-Dichlorostyryl)-1H-Pyrazole
CID 5713978
3-(4-Chlorophenyl)-5-methyl-1H-pyrazole
CID 606094
5-benzyl-1H-pyrazole
CID 4416282
3-(4-chlorophenyl)-4H-pyrazol-4-one N-phenylhydrazone
CID 3669408
5-(3,4-dichlorophenyl)-1H-pyrazole
CID 2736075
3-(4-Chlorophenyl)-1H-pyrazol-4-amine
CID 13303421
2-chloro-4-(1H-pyrazol-3-yl)benzonitrile
CID 67170102
4-(2,6-Dichlorobenzylidene)amino-3,5-dimethylpyrazole
CID 76322477

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole?
The IUPAC name of 5-[2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole (CID 2805491) is 5-[2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole.
What is the SMILES notation for 5-[2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole?
The canonical SMILES for 5-[2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole is Clc1cccc(Cl)c1C=Cc1ccn[nH]1.
What is the InChIKey of 5-[2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole?
The InChIKey is WTLCERBYPIMJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2/c12-10-2-1-3-11(13)9(10)5-4-8-6-7-14-15-8/h1-7H,(H,14,15).
What are the key properties of 5-[2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole?
5-[2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole has a molecular weight of 239.11 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole is sourced from PubChem (CID 2805491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).