5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole

C17H15ClN2 — CID 66021165

IUPAC5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2Cl)c(C)c1
InChIInChI=1S/C17H15ClN2/c1-12-8-9-16(13(2)10-12)20-17(18)11-15(19-20)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyRYPLQVGADMOQFD-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.81
Rot. Bonds2

About 5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole

5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole (PubChem CID 66021165) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole.

Molecular Properties

Compound Name5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole
PubChem CID66021165
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2Cl)c(C)c1
InChIInChI=1S/C17H15ClN2/c1-12-8-9-16(13(2)10-12)20-17(18)11-15(19-20)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyRYPLQVGADMOQFD-UHFFFAOYSA-N
XLogP4.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole?
The IUPAC name of 5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole (CID 66021165) is 5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole.
What is the SMILES notation for 5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole?
The canonical SMILES for 5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole is Cc1ccc(-n2nc(-c3ccccc3)cc2Cl)c(C)c1.
What is the InChIKey of 5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole?
The InChIKey is RYPLQVGADMOQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-12-8-9-16(13(2)10-12)20-17(18)11-15(19-20)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole?
5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole has a molecular weight of 282.77 g/mol, XLogP of 4.81, 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-dimethylphenyl)-3-phenylpyrazole is sourced from PubChem (CID 66021165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).